4-methyl-N-[(2S)-4-methyl-1-oxo-1-[[(1S)-1-phenylethyl]amino]pentan-2-yl]cyclohexane-1-carboxamide

C22H34N2O2 — CID 7064725

IUPAC4-methyl-N-[(2S)-4-methyl-1-oxo-1-[[(1S)-1-phenylethyl]amino]pentan-2-yl]cyclohexane-1-carboxamide
SMILESCC(C)C[C@H](NC(=O)C1CCC(C)CC1)C(=O)N[C@@H](C)c1ccccc1
InChIInChI=1S/C22H34N2O2/c1-15(2)14-20(24-21(25)19-12-10-16(3)11-13-19)22(26)23-17(4)18-8-6-5-7-9-18/h5-9,15-17,19-20H,10-14H2,1-4H3,(H,23,26)(H,24,25)/t16?,17-,19?,20-/m0/s1
InChIKeyUFSPSELVZYPIMF-RZMNMVRNSA-N
MW358.53 g/mol
LogP4.22
Rot. Bonds7

About 4-methyl-N-[(2S)-4-methyl-1-oxo-1-[[(1S)-1-phenylethyl]amino]pentan-2-yl]cyclohexane-1-carboxamide

4-methyl-N-[(2S)-4-methyl-1-oxo-1-[[(1S)-1-phenylethyl]amino]pentan-2-yl]cyclohexane-1-carboxamide (PubChem CID 7064725) has the molecular formula C22H34N2O2 and a molecular weight of 358.53 g/mol. Its IUPAC name is 4-methyl-N-[(2S)-4-methyl-1-oxo-1-[[(1S)-1-phenylethyl]amino]pentan-2-yl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-methyl-N-[(2S)-4-methyl-1-oxo-1-[[(1S)-1-phenylethyl]amino]pentan-2-yl]cyclohexane-1-carboxamide
PubChem CID7064725
Molecular FormulaC22H34N2O2
Molecular Weight358.53 g/mol
Exact Mass358.26
IUPAC Name4-methyl-N-[(2S)-4-methyl-1-oxo-1-[[(1S)-1-phenylethyl]amino]pentan-2-yl]cyclohexane-1-carboxamide
SMILESCC(C)C[C@H](NC(=O)C1CCC(C)CC1)C(=O)N[C@@H](C)c1ccccc1
InChIInChI=1S/C22H34N2O2/c1-15(2)14-20(24-21(25)19-12-10-16(3)11-13-19)22(26)23-17(4)18-8-6-5-7-9-18/h5-9,15-17,19-20H,10-14H2,1-4H3,(H,23,26)(H,24,25)/t16?,17-,19?,20-/m0/s1
InChIKeyUFSPSELVZYPIMF-RZMNMVRNSA-N
XLogP4.22
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.53
LogP ≤ 54.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-N,4-N-bis[(1S)-1-phenylethyl]cyclohexane-1,4-dicarboxamide
CID 40636599
4-methyl-N-[4-methyl-1-[(6-methyl-2-pyridinyl)amino]-1-oxopentan-2-yl]cyclohexane-1-carboxamide
CID 6621139
(3S)-N-[(2R)-4-methyl-1-oxo-1-[[(1R)-1-phenylethyl]amino]pentan-2-yl]-1,2,3,4-tetrahydroisoquinolin-2-ium-3-carboxamide
CID 8015835
methyl 4-methyl-2-[(4-methylcyclohexanecarbonyl)amino]pentanoate
CID 79005645
N-[1-(3-ethylanilino)-4-methyl-1-oxopentan-2-yl]-4-methylcyclohexane-1-carboxamide
CID 22422552
N-[4-methyl-1-(methylamino)-1-oxopentan-2-yl]cyclopropanecarboxamide
CID 60776170
N-[(2S)-4-methyl-1-[(4-methylcyclohexyl)amino]-1-oxopentan-2-yl]cyclohexanecarboxamide
CID 40516545
(2S)-2-amino-4-methyl-N-(1-phenylethyl)pentanamide;hydrochloride
CID 119669721
1-N-pentyl-4-N-(1-phenylethyl)cyclohexane-1,4-dicarboxamide
CID 109148218
1-[(2S)-2-amino-4-methylpentanoyl]-N-[(2S)-1-oxo-1-[[(1R)-1-phenylethyl]amino]propan-2-yl]piperidine-4-carboxamide
CID 7093569
[(2S)-4-methyl-1-oxo-1-[4-[[(2S)-1-oxo-1-[[(1R)-1-phenylethyl]amino]propan-2-yl]carbamoyl]piperidin-1-yl]pentan-2-yl]azanium
CID 7093568
N-[cyano(phenyl)methyl]-4-methylcyclohexane-1-carboxamide
CID 79005788

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[(2S)-4-methyl-1-oxo-1-[[(1S)-1-phenylethyl]amino]pentan-2-yl]cyclohexane-1-carboxamide?
The IUPAC name of 4-methyl-N-[(2S)-4-methyl-1-oxo-1-[[(1S)-1-phenylethyl]amino]pentan-2-yl]cyclohexane-1-carboxamide (CID 7064725) is 4-methyl-N-[(2S)-4-methyl-1-oxo-1-[[(1S)-1-phenylethyl]amino]pentan-2-yl]cyclohexane-1-carboxamide.
What is the SMILES notation for 4-methyl-N-[(2S)-4-methyl-1-oxo-1-[[(1S)-1-phenylethyl]amino]pentan-2-yl]cyclohexane-1-carboxamide?
The canonical SMILES for 4-methyl-N-[(2S)-4-methyl-1-oxo-1-[[(1S)-1-phenylethyl]amino]pentan-2-yl]cyclohexane-1-carboxamide is CC(C)C[C@H](NC(=O)C1CCC(C)CC1)C(=O)N[C@@H](C)c1ccccc1.
What is the InChIKey of 4-methyl-N-[(2S)-4-methyl-1-oxo-1-[[(1S)-1-phenylethyl]amino]pentan-2-yl]cyclohexane-1-carboxamide?
The InChIKey is UFSPSELVZYPIMF-RZMNMVRNSA-N. The full InChI is InChI=1S/C22H34N2O2/c1-15(2)14-20(24-21(25)19-12-10-16(3)11-13-19)22(26)23-17(4)18-8-6-5-7-9-18/h5-9,15-17,19-20H,10-14H2,1-4H3,(H,23,26)(H,24,25)/t16?,17-,19?,20-/m0/s1.
What are the key properties of 4-methyl-N-[(2S)-4-methyl-1-oxo-1-[[(1S)-1-phenylethyl]amino]pentan-2-yl]cyclohexane-1-carboxamide?
4-methyl-N-[(2S)-4-methyl-1-oxo-1-[[(1S)-1-phenylethyl]amino]pentan-2-yl]cyclohexane-1-carboxamide has a molecular weight of 358.53 g/mol, XLogP of 4.22, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[(2S)-4-methyl-1-oxo-1-[[(1S)-1-phenylethyl]amino]pentan-2-yl]cyclohexane-1-carboxamide is sourced from PubChem (CID 7064725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).