N-(1-amino-3-methoxy-1-oxopropan-2-yl)-2-(cyclohexylmethyl)pentanamide

C16H30N2O3 — CID 119039243

IUPACN-(1-amino-3-methoxy-1-oxopropan-2-yl)-2-(cyclohexylmethyl)pentanamide
SMILESCCCC(CC1CCCCC1)C(=O)NC(COC)C(N)=O
InChIInChI=1S/C16H30N2O3/c1-3-7-13(10-12-8-5-4-6-9-12)16(20)18-14(11-21-2)15(17)19/h12-14H,3-11H2,1-2H3,(H2,17,19)(H,18,20)
InChIKeyOAXGDOLHYRLUDN-UHFFFAOYSA-N
MW298.43 g/mol
LogP1.99
Rot. Bonds9

About N-(1-amino-3-methoxy-1-oxopropan-2-yl)-2-(cyclohexylmethyl)pentanamide

N-(1-amino-3-methoxy-1-oxopropan-2-yl)-2-(cyclohexylmethyl)pentanamide (PubChem CID 119039243) has the molecular formula C16H30N2O3 and a molecular weight of 298.43 g/mol. Its IUPAC name is N-(1-amino-3-methoxy-1-oxopropan-2-yl)-2-(cyclohexylmethyl)pentanamide.

Molecular Properties

Compound NameN-(1-amino-3-methoxy-1-oxopropan-2-yl)-2-(cyclohexylmethyl)pentanamide
PubChem CID119039243
Molecular FormulaC16H30N2O3
Molecular Weight298.43 g/mol
Exact Mass298.23
IUPAC NameN-(1-amino-3-methoxy-1-oxopropan-2-yl)-2-(cyclohexylmethyl)pentanamide
SMILESCCCC(CC1CCCCC1)C(=O)NC(COC)C(N)=O
InChIInChI=1S/C16H30N2O3/c1-3-7-13(10-12-8-5-4-6-9-12)16(20)18-14(11-21-2)15(17)19/h12-14H,3-11H2,1-2H3,(H2,17,19)(H,18,20)
InChIKeyOAXGDOLHYRLUDN-UHFFFAOYSA-N
XLogP1.99
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.43
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-N-[(2R)-1-amino-3-methoxy-1-oxopropan-2-yl]-2-(cyclohexylmethyl)pentanamide
CID 97062296
N-(2-amino-1-cyclopropylethyl)-2-(cyclohexylmethyl)pentanamide
CID 119615833
methyl 2-[(2-amino-3-cyclohexylpropanoyl)amino]-3-cyclohexylpropanoate
CID 171080468
2-(cyclopentylmethyl)-N-methylhexanamide
CID 70921101
2-(cyclopentylamino)-3-methoxypropanamide
CID 115924491
2-[2-(aminomethyl)pentanoylamino]-3-methoxypropanoic acid
CID 81077823
N-(3-amino-2-methylpropyl)-2-(cyclopentylmethyl)pentanamide;hydrochloride
CID 119995428
(3S)-4-[[(2S)-1-amino-3-cyclohexyl-1-oxopropan-2-yl]amino]-3-(methylamino)-4-oxobutanoic acid
CID 59936843
2-(cyclobutylmethyl)-4-cyclopentyl-N-propan-2-ylbutanamide
CID 21366288
2-(cyclobutylmethyl)-N-methylhexanamide
CID 89102892
2-(aminomethyl)-N-[(1R)-1-cycloheptylethyl]pentanamide
CID 81393086
(2S)-4-(cyclohexylmethyl)-5-methoxy-5-oxo-2-sulfopentanoic acid
CID 130274775

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-3-methoxy-1-oxopropan-2-yl)-2-(cyclohexylmethyl)pentanamide?
The IUPAC name of N-(1-amino-3-methoxy-1-oxopropan-2-yl)-2-(cyclohexylmethyl)pentanamide (CID 119039243) is N-(1-amino-3-methoxy-1-oxopropan-2-yl)-2-(cyclohexylmethyl)pentanamide.
What is the SMILES notation for N-(1-amino-3-methoxy-1-oxopropan-2-yl)-2-(cyclohexylmethyl)pentanamide?
The canonical SMILES for N-(1-amino-3-methoxy-1-oxopropan-2-yl)-2-(cyclohexylmethyl)pentanamide is CCCC(CC1CCCCC1)C(=O)NC(COC)C(N)=O.
What is the InChIKey of N-(1-amino-3-methoxy-1-oxopropan-2-yl)-2-(cyclohexylmethyl)pentanamide?
The InChIKey is OAXGDOLHYRLUDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O3/c1-3-7-13(10-12-8-5-4-6-9-12)16(20)18-14(11-21-2)15(17)19/h12-14H,3-11H2,1-2H3,(H2,17,19)(H,18,20).
What are the key properties of N-(1-amino-3-methoxy-1-oxopropan-2-yl)-2-(cyclohexylmethyl)pentanamide?
N-(1-amino-3-methoxy-1-oxopropan-2-yl)-2-(cyclohexylmethyl)pentanamide has a molecular weight of 298.43 g/mol, XLogP of 1.99, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-3-methoxy-1-oxopropan-2-yl)-2-(cyclohexylmethyl)pentanamide is sourced from PubChem (CID 119039243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).