[(2R)-1-[[(2S)-1-[[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexanecarbonyl]amino]-3-phenylpropan-2-yl]amino]-1-oxopropan-2-yl]carbamic acid

C24H37N3O4 — CID 135367396

IUPAC[(2R)-1-[[(2S)-1-[[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexanecarbonyl]amino]-3-phenylpropan-2-yl]amino]-1-oxopropan-2-yl]carbamic acid
SMILESCC(C)[C@@H]1CC[C@@H](C)C[C@H]1C(=O)NC[C@H](Cc1ccccc1)NC(=O)[C@@H](C)NC(=O)O
InChIInChI=1S/C24H37N3O4/c1-15(2)20-11-10-16(3)12-21(20)23(29)25-14-19(13-18-8-6-5-7-9-18)27-22(28)17(4)26-24(30)31/h5-9,15-17,19-21,26H,10-14H2,1-4H3,(H,25,29)(H,27,28)(H,30,31)/t16-,17-,19+,20+,21-/m1/s1
InChIKeyRMYHGOCQIKEVPQ-CYPWRKRPSA-N
MW431.58 g/mol
LogP3.19
Rot. Bonds9

About [(2R)-1-[[(2S)-1-[[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexanecarbonyl]amino]-3-phenylpropan-2-yl]amino]-1-oxopropan-2-yl]carbamic acid

[(2R)-1-[[(2S)-1-[[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexanecarbonyl]amino]-3-phenylpropan-2-yl]amino]-1-oxopropan-2-yl]carbamic acid (PubChem CID 135367396) has the molecular formula C24H37N3O4 and a molecular weight of 431.58 g/mol. Its IUPAC name is [(2R)-1-[[(2S)-1-[[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexanecarbonyl]amino]-3-phenylpropan-2-yl]amino]-1-oxopropan-2-yl]carbamic acid.

Molecular Properties

Compound Name[(2R)-1-[[(2S)-1-[[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexanecarbonyl]amino]-3-phenylpropan-2-yl]amino]-1-oxopropan-2-yl]carbamic acid
PubChem CID135367396
Molecular FormulaC24H37N3O4
Molecular Weight431.58 g/mol
Exact Mass431.28
IUPAC Name[(2R)-1-[[(2S)-1-[[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexanecarbonyl]amino]-3-phenylpropan-2-yl]amino]-1-oxopropan-2-yl]carbamic acid
SMILESCC(C)[C@@H]1CC[C@@H](C)C[C@H]1C(=O)NC[C@H](Cc1ccccc1)NC(=O)[C@@H](C)NC(=O)O
InChIInChI=1S/C24H37N3O4/c1-15(2)20-11-10-16(3)12-21(20)23(29)25-14-19(13-18-8-6-5-7-9-18)27-22(28)17(4)26-24(30)31/h5-9,15-17,19-21,26H,10-14H2,1-4H3,(H,25,29)(H,27,28)(H,30,31)/t16-,17-,19+,20+,21-/m1/s1
InChIKeyRMYHGOCQIKEVPQ-CYPWRKRPSA-N
XLogP3.19
TPSA107.53 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.58
LogP ≤ 53.19
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Analyze [(2R)-1-[[(2S)-1-[[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexanecarbonyl]amino]-3-phenylpropan-2-yl]amino]-1-oxopropan-2-yl]carbamic acid with MolForge

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Launch Full Analysis

Related Compounds

[1-[[(1S)-2-[[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexanecarbonyl]amino]-1-phenylethyl]amino]-1-oxopropan-2-yl]carbamic acid
CID 126616754
[1-[[4-methyl-1-[[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexanecarbonyl]amino]pentan-2-yl]amino]-1-oxopropan-2-yl]carbamic acid
CID 126616761
N-benzyl-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide
CID 21079958
N-[(2S)-2-hydroxy-2-phenylethyl]-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide
CID 169225329
N-benzyl-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide;ethane
CID 91604695
5-methyl-N-(2-phenylethyl)-2-propan-2-ylcyclohexane-1-carboxamide
CID 68625601
(2S)-N-(2-acetamido-2-phenylethyl)-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide
CID 129070902
N-[2-[[(2S)-5-methyl-2-propan-2-ylcyclohexanecarbonyl]amino]-1-phenylethyl]benzamide
CID 129071075
(1R,2S,5R)-N-[(2S)-2-[[(2S)-2-aminopropanoyl]amino]-4-methylpentyl]-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide
CID 126647509
5-methyl-N-phenacyl-2-propan-2-ylcyclohexane-1-carboxamide
CID 66831556
(1R,2S,5R)-N-[(2R)-1-hydroxy-3-(4-hydroxyphenyl)propan-2-yl]-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide
CID 59992260
(1R,2S,5R)-N-[(2S)-2-amino-3-naphthalen-2-ylpropyl]-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide
CID 126617221

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-[[(2S)-1-[[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexanecarbonyl]amino]-3-phenylpropan-2-yl]amino]-1-oxopropan-2-yl]carbamic acid?
The IUPAC name of [(2R)-1-[[(2S)-1-[[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexanecarbonyl]amino]-3-phenylpropan-2-yl]amino]-1-oxopropan-2-yl]carbamic acid (CID 135367396) is [(2R)-1-[[(2S)-1-[[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexanecarbonyl]amino]-3-phenylpropan-2-yl]amino]-1-oxopropan-2-yl]carbamic acid.
What is the SMILES notation for [(2R)-1-[[(2S)-1-[[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexanecarbonyl]amino]-3-phenylpropan-2-yl]amino]-1-oxopropan-2-yl]carbamic acid?
The canonical SMILES for [(2R)-1-[[(2S)-1-[[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexanecarbonyl]amino]-3-phenylpropan-2-yl]amino]-1-oxopropan-2-yl]carbamic acid is CC(C)[C@@H]1CC[C@@H](C)C[C@H]1C(=O)NC[C@H](Cc1ccccc1)NC(=O)[C@@H](C)NC(=O)O.
What is the InChIKey of [(2R)-1-[[(2S)-1-[[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexanecarbonyl]amino]-3-phenylpropan-2-yl]amino]-1-oxopropan-2-yl]carbamic acid?
The InChIKey is RMYHGOCQIKEVPQ-CYPWRKRPSA-N. The full InChI is InChI=1S/C24H37N3O4/c1-15(2)20-11-10-16(3)12-21(20)23(29)25-14-19(13-18-8-6-5-7-9-18)27-22(28)17(4)26-24(30)31/h5-9,15-17,19-21,26H,10-14H2,1-4H3,(H,25,29)(H,27,28)(H,30,31)/t16-,17-,19+,20+,21-/m1/s1.
What are the key properties of [(2R)-1-[[(2S)-1-[[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexanecarbonyl]amino]-3-phenylpropan-2-yl]amino]-1-oxopropan-2-yl]carbamic acid?
[(2R)-1-[[(2S)-1-[[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexanecarbonyl]amino]-3-phenylpropan-2-yl]amino]-1-oxopropan-2-yl]carbamic acid has a molecular weight of 431.58 g/mol, XLogP of 3.19, 9 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-[[(2S)-1-[[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexanecarbonyl]amino]-3-phenylpropan-2-yl]amino]-1-oxopropan-2-yl]carbamic acid is sourced from PubChem (CID 135367396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).