[(2S)-1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl]-[(1S)-1-(4-methoxyphenyl)propyl]azanium

C20H32N3O3+ — CID 8646200

IUPAC[(2S)-1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl]-[(1S)-1-(4-methoxyphenyl)propyl]azanium
SMILESCC[C@H]([NH2+][C@@H](C)C(=O)NC(=O)NC1CCCCC1)c1ccc(OC)cc1
InChIInChI=1S/C20H31N3O3/c1-4-18(15-10-12-17(26-3)13-11-15)21-14(2)19(24)23-20(25)22-16-8-6-5-7-9-16/h10-14,16,18,21H,4-9H2,1-3H3,(H2,22,23,24,25)/p+1/t14-,18-/m0/s1
InChIKeySXLXULIBZLOMMG-KSSFIOAISA-O
MW362.49 g/mol
LogP2.26
Rot. Bonds7

About [(2S)-1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl]-[(1S)-1-(4-methoxyphenyl)propyl]azanium

[(2S)-1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl]-[(1S)-1-(4-methoxyphenyl)propyl]azanium (PubChem CID 8646200) has the molecular formula C20H32N3O3+ and a molecular weight of 362.49 g/mol. Its IUPAC name is [(2S)-1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl]-[(1S)-1-(4-methoxyphenyl)propyl]azanium.

Molecular Properties

Compound Name[(2S)-1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl]-[(1S)-1-(4-methoxyphenyl)propyl]azanium
PubChem CID8646200
Molecular FormulaC20H32N3O3+
Molecular Weight362.49 g/mol
Exact Mass362.24
IUPAC Name[(2S)-1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl]-[(1S)-1-(4-methoxyphenyl)propyl]azanium
SMILESCC[C@H]([NH2+][C@@H](C)C(=O)NC(=O)NC1CCCCC1)c1ccc(OC)cc1
InChIInChI=1S/C20H31N3O3/c1-4-18(15-10-12-17(26-3)13-11-15)21-14(2)19(24)23-20(25)22-16-8-6-5-7-9-16/h10-14,16,18,21H,4-9H2,1-3H3,(H2,22,23,24,25)/p+1/t14-,18-/m0/s1
InChIKeySXLXULIBZLOMMG-KSSFIOAISA-O
XLogP2.26
TPSA84.04 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.49
LogP ≤ 52.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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

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Related Compounds

[(1S)-1-(4-methoxyphenyl)propyl]-[(2R)-1-oxo-1-(propan-2-ylamino)propan-2-yl]azanium
CID 8646266
[(2R)-1-(1-adamantylcarbamoylamino)-1-oxopropan-2-yl]-[(1R)-1-(4-methoxyphenyl)propyl]azanium
CID 8646258
[(1R)-1-(4-bromophenyl)propyl]-[(2S)-1-(cyclopropylamino)-1-oxopropan-2-yl]azanium
CID 8643319
(2S)-N-(cyclohexylcarbamoyl)-2-[(4-methoxyphenyl)methyl-methylamino]propanamide
CID 8760985
N-cyclopentyl-2-(4-methoxyphenyl)-3-methylbutanamide
CID 110316904
(2S,3R)-N-cyclopentyl-3-hydroxy-3-(4-methoxyphenyl)-2-methylpropanamide
CID 96538154
[(2S)-1-(cyclopentylcarbamoylamino)-1-oxopropan-2-yl] 3-(4-methoxyphenyl)propanoate
CID 8731275
(2R)-N-(cyclohexylcarbamoyl)-2-[[2-(4-methoxyanilino)-2-oxoethyl]-methylamino]propanamide
CID 9222589
(2S)-N-(cyclohexylcarbamoyl)-2-[4-[(4-methoxyphenyl)methyl]piperazine-1,4-diium-1-yl]propanamide
CID 9130463
N-(cyclohexylcarbamoyl)-2-(4-propan-2-ylphenoxy)acetamide
CID 7707104
[(2R)-1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl]-[(4-ethoxyphenyl)methyl]-methylazanium
CID 8798946
(2R)-2-(4-chlorophenoxy)-N-(cyclohexylcarbamoyl)propanamide
CID 7816268

Frequently Asked Questions

What is the IUPAC name of [(2S)-1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl]-[(1S)-1-(4-methoxyphenyl)propyl]azanium?
The IUPAC name of [(2S)-1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl]-[(1S)-1-(4-methoxyphenyl)propyl]azanium (CID 8646200) is [(2S)-1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl]-[(1S)-1-(4-methoxyphenyl)propyl]azanium.
What is the SMILES notation for [(2S)-1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl]-[(1S)-1-(4-methoxyphenyl)propyl]azanium?
The canonical SMILES for [(2S)-1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl]-[(1S)-1-(4-methoxyphenyl)propyl]azanium is CC[C@H]([NH2+][C@@H](C)C(=O)NC(=O)NC1CCCCC1)c1ccc(OC)cc1.
What is the InChIKey of [(2S)-1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl]-[(1S)-1-(4-methoxyphenyl)propyl]azanium?
The InChIKey is SXLXULIBZLOMMG-KSSFIOAISA-O. The full InChI is InChI=1S/C20H31N3O3/c1-4-18(15-10-12-17(26-3)13-11-15)21-14(2)19(24)23-20(25)22-16-8-6-5-7-9-16/h10-14,16,18,21H,4-9H2,1-3H3,(H2,22,23,24,25)/p+1/t14-,18-/m0/s1.
What are the key properties of [(2S)-1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl]-[(1S)-1-(4-methoxyphenyl)propyl]azanium?
[(2S)-1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl]-[(1S)-1-(4-methoxyphenyl)propyl]azanium has a molecular weight of 362.49 g/mol, XLogP of 2.26, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl]-[(1S)-1-(4-methoxyphenyl)propyl]azanium is sourced from PubChem (CID 8646200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).