[(2R)-1-(1-adamantylcarbamoylamino)-1-oxopropan-2-yl]-[(1R)-1-(4-methoxyphenyl)propyl]azanium

C24H36N3O3+ — CID 8646258

IUPAC[(2R)-1-(1-adamantylcarbamoylamino)-1-oxopropan-2-yl]-[(1R)-1-(4-methoxyphenyl)propyl]azanium
SMILESCC[C@@H]([NH2+][C@H](C)C(=O)NC(=O)NC12CC3CC(CC(C3)C1)C2)c1ccc(OC)cc1
InChIInChI=1S/C24H35N3O3/c1-4-21(19-5-7-20(30-3)8-6-19)25-15(2)22(28)26-23(29)27-24-12-16-9-17(13-24)11-18(10-16)14-24/h5-8,15-18,21,25H,4,9-14H2,1-3H3,(H2,26,27,28,29)/p+1/t15-,16?,17?,18?,21-,24?/m1/s1
InChIKeyKFSDAZKYFXKOQI-DRFBCEGUSA-O
MW414.57 g/mol
LogP2.89
Rot. Bonds7

About [(2R)-1-(1-adamantylcarbamoylamino)-1-oxopropan-2-yl]-[(1R)-1-(4-methoxyphenyl)propyl]azanium

[(2R)-1-(1-adamantylcarbamoylamino)-1-oxopropan-2-yl]-[(1R)-1-(4-methoxyphenyl)propyl]azanium (PubChem CID 8646258) has the molecular formula C24H36N3O3+ and a molecular weight of 414.57 g/mol. Its IUPAC name is [(2R)-1-(1-adamantylcarbamoylamino)-1-oxopropan-2-yl]-[(1R)-1-(4-methoxyphenyl)propyl]azanium.

Molecular Properties

Compound Name[(2R)-1-(1-adamantylcarbamoylamino)-1-oxopropan-2-yl]-[(1R)-1-(4-methoxyphenyl)propyl]azanium
PubChem CID8646258
Molecular FormulaC24H36N3O3+
Molecular Weight414.57 g/mol
Exact Mass414.28
IUPAC Name[(2R)-1-(1-adamantylcarbamoylamino)-1-oxopropan-2-yl]-[(1R)-1-(4-methoxyphenyl)propyl]azanium
SMILESCC[C@@H]([NH2+][C@H](C)C(=O)NC(=O)NC12CC3CC(CC(C3)C1)C2)c1ccc(OC)cc1
InChIInChI=1S/C24H35N3O3/c1-4-21(19-5-7-20(30-3)8-6-19)25-15(2)22(28)26-23(29)27-24-12-16-9-17(13-24)11-18(10-16)14-24/h5-8,15-18,21,25H,4,9-14H2,1-3H3,(H2,26,27,28,29)/p+1/t15-,16?,17?,18?,21-,24?/m1/s1
InChIKeyKFSDAZKYFXKOQI-DRFBCEGUSA-O
XLogP2.89
TPSA84.04 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.57
LogP ≤ 52.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze [(2R)-1-(1-adamantylcarbamoylamino)-1-oxopropan-2-yl]-[(1R)-1-(4-methoxyphenyl)propyl]azanium with MolForge

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Related Compounds

[(2S)-1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl]-[(1S)-1-(4-methoxyphenyl)propyl]azanium
CID 8646200
[(1S)-1-(4-methoxyphenyl)propyl]-[(2R)-1-oxo-1-(propan-2-ylamino)propan-2-yl]azanium
CID 8646266
(2R)-N-(1-adamantyl)-2-(4-methoxyphenoxy)propanamide
CID 42063752
[(2R)-1-(1-adamantylcarbamoylamino)-1-oxopropan-2-yl]-[(1S)-1-(furan-2-yl)ethyl]azanium
CID 8921741
[(2S)-1-(1-adamantylcarbamoylamino)-1-oxopropan-2-yl]-[(1R)-1-(2-chlorophenyl)ethyl]azanium
CID 9348784
[(1R)-1-(4-bromophenyl)propyl]-[(2R)-1-[(4-methoxyphenyl)methylamino]-1-oxopropan-2-yl]azanium
CID 8643309
N-(1-adamantyl)-2-[[cyclopropyl-(4-methoxyphenyl)methyl]amino]propanamide
CID 112804482
[(2S)-1-(1-adamantylamino)-1-oxopropan-2-yl]-[(1R)-1-(4-chlorophenyl)ethyl]azanium
CID 9334846
[(2S)-1-(3-chloroanilino)-1-oxopropan-2-yl]-[(1S)-1-(4-methoxyphenyl)propyl]azanium
CID 8646046
[(1S)-1-(4-methoxyphenyl)propyl]-[(2R)-1-(3-methylanilino)-1-oxopropan-2-yl]azanium
CID 8646102
N-(1-adamantyl)-2-(4-methoxyphenyl)sulfanylacetamide
CID 29318028
N-(1-adamantylcarbamoyl)-2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]acetamide
CID 8770435

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-(1-adamantylcarbamoylamino)-1-oxopropan-2-yl]-[(1R)-1-(4-methoxyphenyl)propyl]azanium?
The IUPAC name of [(2R)-1-(1-adamantylcarbamoylamino)-1-oxopropan-2-yl]-[(1R)-1-(4-methoxyphenyl)propyl]azanium (CID 8646258) is [(2R)-1-(1-adamantylcarbamoylamino)-1-oxopropan-2-yl]-[(1R)-1-(4-methoxyphenyl)propyl]azanium.
What is the SMILES notation for [(2R)-1-(1-adamantylcarbamoylamino)-1-oxopropan-2-yl]-[(1R)-1-(4-methoxyphenyl)propyl]azanium?
The canonical SMILES for [(2R)-1-(1-adamantylcarbamoylamino)-1-oxopropan-2-yl]-[(1R)-1-(4-methoxyphenyl)propyl]azanium is CC[C@@H]([NH2+][C@H](C)C(=O)NC(=O)NC12CC3CC(CC(C3)C1)C2)c1ccc(OC)cc1.
What is the InChIKey of [(2R)-1-(1-adamantylcarbamoylamino)-1-oxopropan-2-yl]-[(1R)-1-(4-methoxyphenyl)propyl]azanium?
The InChIKey is KFSDAZKYFXKOQI-DRFBCEGUSA-O. The full InChI is InChI=1S/C24H35N3O3/c1-4-21(19-5-7-20(30-3)8-6-19)25-15(2)22(28)26-23(29)27-24-12-16-9-17(13-24)11-18(10-16)14-24/h5-8,15-18,21,25H,4,9-14H2,1-3H3,(H2,26,27,28,29)/p+1/t15-,16?,17?,18?,21-,24?/m1/s1.
What are the key properties of [(2R)-1-(1-adamantylcarbamoylamino)-1-oxopropan-2-yl]-[(1R)-1-(4-methoxyphenyl)propyl]azanium?
[(2R)-1-(1-adamantylcarbamoylamino)-1-oxopropan-2-yl]-[(1R)-1-(4-methoxyphenyl)propyl]azanium has a molecular weight of 414.57 g/mol, XLogP of 2.89, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-(1-adamantylcarbamoylamino)-1-oxopropan-2-yl]-[(1R)-1-(4-methoxyphenyl)propyl]azanium is sourced from PubChem (CID 8646258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).