N-[2-[(2S)-2-amino-4,4-difluoro-3-oxopentyl]cyclohexyl]-4-methylpentanamide

C17H30F2N2O2 — CID 154445479

IUPACN-[2-[(2S)-2-amino-4,4-difluoro-3-oxopentyl]cyclohexyl]-4-methylpentanamide
SMILESCC(C)CCC(=O)NC1CCCCC1C[C@H](N)C(=O)C(C)(F)F
InChIInChI=1S/C17H30F2N2O2/c1-11(2)8-9-15(22)21-14-7-5-4-6-12(14)10-13(20)16(23)17(3,18)19/h11-14H,4-10,20H2,1-3H3,(H,21,22)/t12?,13-,14?/m0/s1
InChIKeyYVPCKKXJZKTNKF-MOKVOYLWSA-N
MW332.44 g/mol
LogP3.04
Rot. Bonds8

About N-[2-[(2S)-2-amino-4,4-difluoro-3-oxopentyl]cyclohexyl]-4-methylpentanamide

N-[2-[(2S)-2-amino-4,4-difluoro-3-oxopentyl]cyclohexyl]-4-methylpentanamide (PubChem CID 154445479) has the molecular formula C17H30F2N2O2 and a molecular weight of 332.44 g/mol. Its IUPAC name is N-[2-[(2S)-2-amino-4,4-difluoro-3-oxopentyl]cyclohexyl]-4-methylpentanamide.

Molecular Properties

Compound NameN-[2-[(2S)-2-amino-4,4-difluoro-3-oxopentyl]cyclohexyl]-4-methylpentanamide
PubChem CID154445479
Molecular FormulaC17H30F2N2O2
Molecular Weight332.44 g/mol
Exact Mass332.23
IUPAC NameN-[2-[(2S)-2-amino-4,4-difluoro-3-oxopentyl]cyclohexyl]-4-methylpentanamide
SMILESCC(C)CCC(=O)NC1CCCCC1C[C@H](N)C(=O)C(C)(F)F
InChIInChI=1S/C17H30F2N2O2/c1-11(2)8-9-15(22)21-14-7-5-4-6-12(14)10-13(20)16(23)17(3,18)19/h11-14H,4-10,20H2,1-3H3,(H,21,22)/t12?,13-,14?/m0/s1
InChIKeyYVPCKKXJZKTNKF-MOKVOYLWSA-N
XLogP3.04
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.44
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[[2-(aminomethyl)cyclohexyl]amino]-2-oxoethyl]-4-methylpentanamide;hydrochloride
CID 119609925
5-amino-N-[2-(hydroxymethyl)cyclohexyl]hexanamide
CID 106361473
N-[2-(aminomethyl)cyclohexyl]-4-cyclopentylbutanamide
CID 119612594
N-[2-(aminomethyl)cyclopentyl]-4,4-dimethylpentanamide;hydrochloride
CID 119605302
4-amino-N-[(1S,2S)-2-hydroxycyclohexyl]pentanamide
CID 107221714
N-[2-(aminomethyl)cyclohexyl]-4-cyclopentylbutanamide;hydrochloride
CID 119612593
3-amino-N-[2-(hydroxymethyl)cyclohexyl]-5,5-dimethylhexanamide
CID 106361550
1-N,3-N,5-N-tris(2-methylcyclohexyl)pentane-1,3,5-tricarboxamide
CID 139666026
N-[2-(aminomethyl)cyclopentyl]pentanamide
CID 62957090
N-[2-(aminomethyl)cyclohexyl]-3-methylsulfanylpropanamide;hydrochloride
CID 119611809
2-[(Z)-(1-amino-4-methylpentylidene)amino]oxy-N-(2-methylcyclohexyl)acetamide
CID 47446463
N-[2-(aminomethyl)cyclohexyl]-5-methylsulfanylpentanamide
CID 119609946

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2S)-2-amino-4,4-difluoro-3-oxopentyl]cyclohexyl]-4-methylpentanamide?
The IUPAC name of N-[2-[(2S)-2-amino-4,4-difluoro-3-oxopentyl]cyclohexyl]-4-methylpentanamide (CID 154445479) is N-[2-[(2S)-2-amino-4,4-difluoro-3-oxopentyl]cyclohexyl]-4-methylpentanamide.
What is the SMILES notation for N-[2-[(2S)-2-amino-4,4-difluoro-3-oxopentyl]cyclohexyl]-4-methylpentanamide?
The canonical SMILES for N-[2-[(2S)-2-amino-4,4-difluoro-3-oxopentyl]cyclohexyl]-4-methylpentanamide is CC(C)CCC(=O)NC1CCCCC1C[C@H](N)C(=O)C(C)(F)F.
What is the InChIKey of N-[2-[(2S)-2-amino-4,4-difluoro-3-oxopentyl]cyclohexyl]-4-methylpentanamide?
The InChIKey is YVPCKKXJZKTNKF-MOKVOYLWSA-N. The full InChI is InChI=1S/C17H30F2N2O2/c1-11(2)8-9-15(22)21-14-7-5-4-6-12(14)10-13(20)16(23)17(3,18)19/h11-14H,4-10,20H2,1-3H3,(H,21,22)/t12?,13-,14?/m0/s1.
What are the key properties of N-[2-[(2S)-2-amino-4,4-difluoro-3-oxopentyl]cyclohexyl]-4-methylpentanamide?
N-[2-[(2S)-2-amino-4,4-difluoro-3-oxopentyl]cyclohexyl]-4-methylpentanamide has a molecular weight of 332.44 g/mol, XLogP of 3.04, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2S)-2-amino-4,4-difluoro-3-oxopentyl]cyclohexyl]-4-methylpentanamide is sourced from PubChem (CID 154445479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).