2-amino-N-[(4-hydroxycyclohexyl)methyl]-4-phenylbutanamide

C17H26N2O2 — CID 106135501

IUPAC2-amino-N-[(4-hydroxycyclohexyl)methyl]-4-phenylbutanamide
SMILESNC(CCc1ccccc1)C(=O)NCC1CCC(O)CC1
InChIInChI=1S/C17H26N2O2/c18-16(11-8-13-4-2-1-3-5-13)17(21)19-12-14-6-9-15(20)10-7-14/h1-5,14-16,20H,6-12,18H2,(H,19,21)
InChIKeyJDKQZRYTFJNWMZ-UHFFFAOYSA-N
MW290.41 g/mol
LogP1.61
Rot. Bonds6

About 2-amino-N-[(4-hydroxycyclohexyl)methyl]-4-phenylbutanamide

2-amino-N-[(4-hydroxycyclohexyl)methyl]-4-phenylbutanamide (PubChem CID 106135501) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is 2-amino-N-[(4-hydroxycyclohexyl)methyl]-4-phenylbutanamide.

Molecular Properties

Compound Name2-amino-N-[(4-hydroxycyclohexyl)methyl]-4-phenylbutanamide
PubChem CID106135501
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Name2-amino-N-[(4-hydroxycyclohexyl)methyl]-4-phenylbutanamide
SMILESNC(CCc1ccccc1)C(=O)NCC1CCC(O)CC1
InChIInChI=1S/C17H26N2O2/c18-16(11-8-13-4-2-1-3-5-13)17(21)19-12-14-6-9-15(20)10-7-14/h1-5,14-16,20H,6-12,18H2,(H,19,21)
InChIKeyJDKQZRYTFJNWMZ-UHFFFAOYSA-N
XLogP1.61
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 51.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-4-phenyl-N-(thian-2-ylmethyl)butanamide
CID 104984623
(2S)-2-amino-N-(cyclohexylmethyl)-3-phenylpropanamide;hydrochloride
CID 119262630
4-[(4-phenylbutan-2-ylamino)methyl]cyclohexan-1-ol
CID 106126000
N-[(4-hydroxycyclohexyl)methyl]-2-phenylpropanamide
CID 106123788
2-amino-N-[(4-hydroxycyclohexyl)methyl]-5-methoxypentanamide
CID 106135403
2-amino-N-(2-amino-2-oxoethyl)-4-phenylbutanamide
CID 114924624
benzyl N-[[(1R,3S)-3-hydroxycyclopentyl]methyl]carbamate
CID 124634239
(2S)-2-amino-N-[2-(oxolan-2-yl)ethyl]-4-phenylbutanamide
CID 104984102
2-amino-N-[2-(carbamoylamino)ethyl]-4-phenylbutanamide
CID 114929288
2-amino-4-phenyl-N-prop-2-ynylbutanamide
CID 114925050
4-amino-5-[(3-hydroxycyclopentyl)methylamino]-5-oxopentanoic acid
CID 106134041
2-[[(2S)-2-amino-4-phenylbutanoyl]amino]ethyl carbamate
CID 104984749

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(4-hydroxycyclohexyl)methyl]-4-phenylbutanamide?
The IUPAC name of 2-amino-N-[(4-hydroxycyclohexyl)methyl]-4-phenylbutanamide (CID 106135501) is 2-amino-N-[(4-hydroxycyclohexyl)methyl]-4-phenylbutanamide.
What is the SMILES notation for 2-amino-N-[(4-hydroxycyclohexyl)methyl]-4-phenylbutanamide?
The canonical SMILES for 2-amino-N-[(4-hydroxycyclohexyl)methyl]-4-phenylbutanamide is NC(CCc1ccccc1)C(=O)NCC1CCC(O)CC1.
What is the InChIKey of 2-amino-N-[(4-hydroxycyclohexyl)methyl]-4-phenylbutanamide?
The InChIKey is JDKQZRYTFJNWMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c18-16(11-8-13-4-2-1-3-5-13)17(21)19-12-14-6-9-15(20)10-7-14/h1-5,14-16,20H,6-12,18H2,(H,19,21).
What are the key properties of 2-amino-N-[(4-hydroxycyclohexyl)methyl]-4-phenylbutanamide?
2-amino-N-[(4-hydroxycyclohexyl)methyl]-4-phenylbutanamide has a molecular weight of 290.41 g/mol, XLogP of 1.61, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(4-hydroxycyclohexyl)methyl]-4-phenylbutanamide is sourced from PubChem (CID 106135501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).