(2R)-N-[(2R)-butan-2-yl]-2-[[2-(4-methoxyphenyl)acetyl]-[(3-methylphenyl)methyl]amino]propanamide

C24H32N2O3 — CID 100538978

IUPAC(2R)-N-[(2R)-butan-2-yl]-2-[[2-(4-methoxyphenyl)acetyl]-[(3-methylphenyl)methyl]amino]propanamide
SMILESCC[C@@H](C)NC(=O)[C@@H](C)N(Cc1cccc(C)c1)C(=O)Cc1ccc(OC)cc1
InChIInChI=1S/C24H32N2O3/c1-6-18(3)25-24(28)19(4)26(16-21-9-7-8-17(2)14-21)23(27)15-20-10-12-22(29-5)13-11-20/h7-14,18-19H,6,15-16H2,1-5H3,(H,25,28)/t18-,19-/m1/s1
InChIKeyYPONFCMXTUWKGO-RTBURBONSA-N
MW396.53 g/mol
LogP3.88
Rot. Bonds9

About (2R)-N-[(2R)-butan-2-yl]-2-[[2-(4-methoxyphenyl)acetyl]-[(3-methylphenyl)methyl]amino]propanamide

(2R)-N-[(2R)-butan-2-yl]-2-[[2-(4-methoxyphenyl)acetyl]-[(3-methylphenyl)methyl]amino]propanamide (PubChem CID 100538978) has the molecular formula C24H32N2O3 and a molecular weight of 396.53 g/mol. Its IUPAC name is (2R)-N-[(2R)-butan-2-yl]-2-[[2-(4-methoxyphenyl)acetyl]-[(3-methylphenyl)methyl]amino]propanamide.

Molecular Properties

Compound Name(2R)-N-[(2R)-butan-2-yl]-2-[[2-(4-methoxyphenyl)acetyl]-[(3-methylphenyl)methyl]amino]propanamide
PubChem CID100538978
Molecular FormulaC24H32N2O3
Molecular Weight396.53 g/mol
Exact Mass396.24
IUPAC Name(2R)-N-[(2R)-butan-2-yl]-2-[[2-(4-methoxyphenyl)acetyl]-[(3-methylphenyl)methyl]amino]propanamide
SMILESCC[C@@H](C)NC(=O)[C@@H](C)N(Cc1cccc(C)c1)C(=O)Cc1ccc(OC)cc1
InChIInChI=1S/C24H32N2O3/c1-6-18(3)25-24(28)19(4)26(16-21-9-7-8-17(2)14-21)23(27)15-20-10-12-22(29-5)13-11-20/h7-14,18-19H,6,15-16H2,1-5H3,(H,25,28)/t18-,19-/m1/s1
InChIKeyYPONFCMXTUWKGO-RTBURBONSA-N
XLogP3.88
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.53
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-N-[(2R)-butan-2-yl]-2-[(4-methoxyphenyl)methyl-[2-(4-methylphenyl)acetyl]amino]propanamide
CID 100620942
(2S)-N-[(2R)-butan-2-yl]-2-[[2-(4-methoxyphenyl)acetyl]-[(4-methoxyphenyl)methyl]amino]propanamide
CID 100620913
(2R)-N-[(2R)-butan-2-yl]-2-[[2-(4-fluorophenyl)acetyl]-[(3-methylphenyl)methyl]amino]propanamide
CID 100540743
2-[(4-methoxyphenyl)methyl-[2-(3-methylphenyl)acetyl]amino]-N-propan-2-ylpropanamide
CID 132657637
N-butan-2-yl-2-[(4-methoxyphenyl)methyl-[2-(3-methylphenyl)acetyl]amino]butanamide
CID 132707050
2-[benzyl-[2-(3-methylphenyl)acetyl]amino]-N-butan-2-ylpropanamide
CID 132701697
(2S)-N-[(2R)-butan-2-yl]-2-[[2-(3-chlorophenyl)acetyl]-[(4-methoxyphenyl)methyl]amino]propanamide
CID 100624357
(2S)-N-[(2R)-butan-2-yl]-2-[[2-(4-chlorophenyl)acetyl]-[(3-methoxyphenyl)methyl]amino]propanamide
CID 100605110
(2R)-N-[(2R)-butan-2-yl]-2-[(3,4-dichlorophenyl)methyl-[2-(4-methoxyphenyl)acetyl]amino]propanamide
CID 100589574
(2R)-N-[(2S)-butan-2-yl]-2-[(3,4-dichlorophenyl)methyl-[2-(4-methoxyphenyl)acetyl]amino]propanamide
CID 100589582
N-ethyl-2-[(4-methoxyphenyl)methyl-[2-(3-methylphenyl)acetyl]amino]propanamide
CID 132655277
(2S)-N-[(2S)-butan-2-yl]-2-[(4-chlorophenyl)methyl-[2-(3-methylphenyl)acetyl]amino]propanamide
CID 100567090

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[(2R)-butan-2-yl]-2-[[2-(4-methoxyphenyl)acetyl]-[(3-methylphenyl)methyl]amino]propanamide?
The IUPAC name of (2R)-N-[(2R)-butan-2-yl]-2-[[2-(4-methoxyphenyl)acetyl]-[(3-methylphenyl)methyl]amino]propanamide (CID 100538978) is (2R)-N-[(2R)-butan-2-yl]-2-[[2-(4-methoxyphenyl)acetyl]-[(3-methylphenyl)methyl]amino]propanamide.
What is the SMILES notation for (2R)-N-[(2R)-butan-2-yl]-2-[[2-(4-methoxyphenyl)acetyl]-[(3-methylphenyl)methyl]amino]propanamide?
The canonical SMILES for (2R)-N-[(2R)-butan-2-yl]-2-[[2-(4-methoxyphenyl)acetyl]-[(3-methylphenyl)methyl]amino]propanamide is CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1cccc(C)c1)C(=O)Cc1ccc(OC)cc1.
What is the InChIKey of (2R)-N-[(2R)-butan-2-yl]-2-[[2-(4-methoxyphenyl)acetyl]-[(3-methylphenyl)methyl]amino]propanamide?
The InChIKey is YPONFCMXTUWKGO-RTBURBONSA-N. The full InChI is InChI=1S/C24H32N2O3/c1-6-18(3)25-24(28)19(4)26(16-21-9-7-8-17(2)14-21)23(27)15-20-10-12-22(29-5)13-11-20/h7-14,18-19H,6,15-16H2,1-5H3,(H,25,28)/t18-,19-/m1/s1.
What are the key properties of (2R)-N-[(2R)-butan-2-yl]-2-[[2-(4-methoxyphenyl)acetyl]-[(3-methylphenyl)methyl]amino]propanamide?
(2R)-N-[(2R)-butan-2-yl]-2-[[2-(4-methoxyphenyl)acetyl]-[(3-methylphenyl)methyl]amino]propanamide has a molecular weight of 396.53 g/mol, XLogP of 3.88, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[(2R)-butan-2-yl]-2-[[2-(4-methoxyphenyl)acetyl]-[(3-methylphenyl)methyl]amino]propanamide is sourced from PubChem (CID 100538978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).