[2-[[(2S)-1-[[(2S)-1,1-bis(4-methylphenyl)propan-2-yl]amino]-1-oxopropan-2-yl]carbamoyl]-4-methoxy-3-pyridinyl] ethyl carbonate

C30H35N3O6 — CID 162758929

IUPAC[2-[[(2S)-1-[[(2S)-1,1-bis(4-methylphenyl)propan-2-yl]amino]-1-oxopropan-2-yl]carbamoyl]-4-methoxy-3-pyridinyl] ethyl carbonate
SMILESCCOC(=O)Oc1c(OC)ccnc1C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(c1ccc(C)cc1)c1ccc(C)cc1
InChIInChI=1S/C30H35N3O6/c1-7-38-30(36)39-27-24(37-6)16-17-31-26(27)29(35)33-21(5)28(34)32-20(4)25(22-12-8-18(2)9-13-22)23-14-10-19(3)11-15-23/h8-17,20-21,25H,7H2,1-6H3,(H,32,34)(H,33,35)/t20-,21-/m0/s1
InChIKeyQZQBDXUKNWJSQQ-SFTDATJTSA-N
MW533.63 g/mol
LogP4.70
Rot. Bonds10

About [2-[[(2S)-1-[[(2S)-1,1-bis(4-methylphenyl)propan-2-yl]amino]-1-oxopropan-2-yl]carbamoyl]-4-methoxy-3-pyridinyl] ethyl carbonate

[2-[[(2S)-1-[[(2S)-1,1-bis(4-methylphenyl)propan-2-yl]amino]-1-oxopropan-2-yl]carbamoyl]-4-methoxy-3-pyridinyl] ethyl carbonate (PubChem CID 162758929) has the molecular formula C30H35N3O6 and a molecular weight of 533.63 g/mol. Its IUPAC name is [2-[[(2S)-1-[[(2S)-1,1-bis(4-methylphenyl)propan-2-yl]amino]-1-oxopropan-2-yl]carbamoyl]-4-methoxy-3-pyridinyl] ethyl carbonate.

Molecular Properties

Compound Name[2-[[(2S)-1-[[(2S)-1,1-bis(4-methylphenyl)propan-2-yl]amino]-1-oxopropan-2-yl]carbamoyl]-4-methoxy-3-pyridinyl] ethyl carbonate
PubChem CID162758929
Molecular FormulaC30H35N3O6
Molecular Weight533.63 g/mol
Exact Mass533.25
IUPAC Name[2-[[(2S)-1-[[(2S)-1,1-bis(4-methylphenyl)propan-2-yl]amino]-1-oxopropan-2-yl]carbamoyl]-4-methoxy-3-pyridinyl] ethyl carbonate
SMILESCCOC(=O)Oc1c(OC)ccnc1C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(c1ccc(C)cc1)c1ccc(C)cc1
InChIInChI=1S/C30H35N3O6/c1-7-38-30(36)39-27-24(37-6)16-17-31-26(27)29(35)33-21(5)28(34)32-20(4)25(22-12-8-18(2)9-13-22)23-14-10-19(3)11-15-23/h8-17,20-21,25H,7H2,1-6H3,(H,32,34)(H,33,35)/t20-,21-/m0/s1
InChIKeyQZQBDXUKNWJSQQ-SFTDATJTSA-N
XLogP4.70
TPSA115.85 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500533.63
LogP ≤ 54.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze [2-[[(2S)-1-[[(2S)-1,1-bis(4-methylphenyl)propan-2-yl]amino]-1-oxopropan-2-yl]carbamoyl]-4-methoxy-3-pyridinyl] ethyl carbonate with MolForge

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Launch Full Analysis

Related Compounds

[2-[[(2S)-1-[[(2S)-1,1-bis(4-methoxyphenyl)propan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]carbamoyl]-4-methoxy-3-pyridinyl] ethyl carbonate
CID 162758846
[2-[[(2S)-1-[[(2S)-1,1-bis(4-propan-2-ylphenyl)propan-2-yl]amino]-1-oxopropan-2-yl]carbamoyl]-4-methoxy-3-pyridinyl] butanoate
CID 162758959
[2-[[(2S)-1-[[(2R)-1,1-bis(4-fluorophenyl)propan-2-yl]amino]-1-oxopropan-2-yl]carbamoyl]-4-methoxy-3-pyridinyl] 2-methylpropanoate
CID 162758794
[2-[[(2S)-1-[[(2S)-1,1-bis(3,4-dimethoxyphenyl)propan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]carbamoyl]-4-methoxy-3-pyridinyl] ethyl carbonate
CID 162758831
[2-[[(2S)-1-[[(2S)-1,1-bis(3,4-dimethoxyphenyl)propan-2-yl]amino]-1-oxopropan-2-yl]carbamoyl]-4-methoxy-3-pyridinyl] 2-methylpropanoate
CID 162758713
[4-methoxy-2-[[(2S)-1-(3-methylbutan-2-ylamino)-1-oxopropan-2-yl]carbamoyl]-3-pyridinyl] 2-methylpropanoate
CID 162758923
[(2S,3S)-4-methyl-3-(4-methylphenyl)pentan-2-yl] (2S)-2-[[3-(acetyloxymethoxy)-4-methoxypyridine-2-carbonyl]amino]propanoate
CID 135199485
[2-[[(1S)-1-[5-(3,5-dimethylphenyl)-1-methyl-1,2,4-triazol-3-yl]ethyl]carbamoyl]-4-methoxy-3-pyridinyl] ethyl carbonate
CID 162759237
[2-[[(1S)-1-[5-[bis(4-fluorophenyl)methyl]-2-methyl-1,2,4-triazol-3-yl]ethyl]carbamoyl]-4-methoxy-3-pyridinyl] ethyl carbonate
CID 162758981
[2-[[(1S)-1-(5-benzhydryl-1,2,4-oxadiazol-3-yl)ethyl]carbamoyl]-4-methoxy-3-pyridinyl] ethyl carbonate
CID 162759122
[2-[[(2S)-1-[[(2S)-1,1-bis(4-methoxyphenyl)propan-2-yl]amino]-4-methylsulfanyl-1-oxobutan-2-yl]carbamoyl]-4-methoxy-3-pyridinyl] acetate
CID 162758886
ethyl [2-[[(1S)-1-[5-(4-ethylphenyl)-1,2,4-oxadiazol-3-yl]ethyl]carbamoyl]-4-methoxy-3-pyridinyl] carbonate
CID 172805572

Frequently Asked Questions

What is the IUPAC name of [2-[[(2S)-1-[[(2S)-1,1-bis(4-methylphenyl)propan-2-yl]amino]-1-oxopropan-2-yl]carbamoyl]-4-methoxy-3-pyridinyl] ethyl carbonate?
The IUPAC name of [2-[[(2S)-1-[[(2S)-1,1-bis(4-methylphenyl)propan-2-yl]amino]-1-oxopropan-2-yl]carbamoyl]-4-methoxy-3-pyridinyl] ethyl carbonate (CID 162758929) is [2-[[(2S)-1-[[(2S)-1,1-bis(4-methylphenyl)propan-2-yl]amino]-1-oxopropan-2-yl]carbamoyl]-4-methoxy-3-pyridinyl] ethyl carbonate.
What is the SMILES notation for [2-[[(2S)-1-[[(2S)-1,1-bis(4-methylphenyl)propan-2-yl]amino]-1-oxopropan-2-yl]carbamoyl]-4-methoxy-3-pyridinyl] ethyl carbonate?
The canonical SMILES for [2-[[(2S)-1-[[(2S)-1,1-bis(4-methylphenyl)propan-2-yl]amino]-1-oxopropan-2-yl]carbamoyl]-4-methoxy-3-pyridinyl] ethyl carbonate is CCOC(=O)Oc1c(OC)ccnc1C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(c1ccc(C)cc1)c1ccc(C)cc1.
What is the InChIKey of [2-[[(2S)-1-[[(2S)-1,1-bis(4-methylphenyl)propan-2-yl]amino]-1-oxopropan-2-yl]carbamoyl]-4-methoxy-3-pyridinyl] ethyl carbonate?
The InChIKey is QZQBDXUKNWJSQQ-SFTDATJTSA-N. The full InChI is InChI=1S/C30H35N3O6/c1-7-38-30(36)39-27-24(37-6)16-17-31-26(27)29(35)33-21(5)28(34)32-20(4)25(22-12-8-18(2)9-13-22)23-14-10-19(3)11-15-23/h8-17,20-21,25H,7H2,1-6H3,(H,32,34)(H,33,35)/t20-,21-/m0/s1.
What are the key properties of [2-[[(2S)-1-[[(2S)-1,1-bis(4-methylphenyl)propan-2-yl]amino]-1-oxopropan-2-yl]carbamoyl]-4-methoxy-3-pyridinyl] ethyl carbonate?
[2-[[(2S)-1-[[(2S)-1,1-bis(4-methylphenyl)propan-2-yl]amino]-1-oxopropan-2-yl]carbamoyl]-4-methoxy-3-pyridinyl] ethyl carbonate has a molecular weight of 533.63 g/mol, XLogP of 4.70, 10 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[(2S)-1-[[(2S)-1,1-bis(4-methylphenyl)propan-2-yl]amino]-1-oxopropan-2-yl]carbamoyl]-4-methoxy-3-pyridinyl] ethyl carbonate is sourced from PubChem (CID 162758929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).