2-amino-3-cyclohexyl-N-[(3-hydroxycyclobutyl)methyl]propanamide

C14H26N2O2 — CID 114264790

IUPAC2-amino-3-cyclohexyl-N-[(3-hydroxycyclobutyl)methyl]propanamide
SMILESNC(CC1CCCCC1)C(=O)NCC1CC(O)C1
InChIInChI=1S/C14H26N2O2/c15-13(8-10-4-2-1-3-5-10)14(18)16-9-11-6-12(17)7-11/h10-13,17H,1-9,15H2,(H,16,18)
InChIKeyLROJQPZJNAZCGE-UHFFFAOYSA-N
MW254.37 g/mol
LogP1.17
Rot. Bonds5

About 2-amino-3-cyclohexyl-N-[(3-hydroxycyclobutyl)methyl]propanamide

2-amino-3-cyclohexyl-N-[(3-hydroxycyclobutyl)methyl]propanamide (PubChem CID 114264790) has the molecular formula C14H26N2O2 and a molecular weight of 254.37 g/mol. Its IUPAC name is 2-amino-3-cyclohexyl-N-[(3-hydroxycyclobutyl)methyl]propanamide.

Molecular Properties

Compound Name2-amino-3-cyclohexyl-N-[(3-hydroxycyclobutyl)methyl]propanamide
PubChem CID114264790
Molecular FormulaC14H26N2O2
Molecular Weight254.37 g/mol
Exact Mass254.20
IUPAC Name2-amino-3-cyclohexyl-N-[(3-hydroxycyclobutyl)methyl]propanamide
SMILESNC(CC1CCCCC1)C(=O)NCC1CC(O)C1
InChIInChI=1S/C14H26N2O2/c15-13(8-10-4-2-1-3-5-10)14(18)16-9-11-6-12(17)7-11/h10-13,17H,1-9,15H2,(H,16,18)
InChIKeyLROJQPZJNAZCGE-UHFFFAOYSA-N
XLogP1.17
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.37
LogP ≤ 51.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-amino-3-cyclohexyl-N-[[(2S)-pyrrolidin-2-yl]methyl]propanamide
CID 143330187
(2S)-2-amino-N-[(3-hydroxycyclobutyl)methyl]-4-methylpentanamide
CID 66004860
2-amino-N-[(3-hydroxycyclohexyl)methyl]butanamide
CID 103950304
(2S)-2-amino-3-cyclopentyl-N-cyclopropylpropanamide;hydrochloride
CID 118704811
2-amino-3-cyclohexyl-N-[3-(methylamino)-3-oxopropyl]propanamide
CID 114264767
2-amino-N-[(3-hydroxycyclohexyl)methyl]hexanamide
CID 103950314
2-amino-N-(cyclohexylmethyl)propanamide
CID 43215382
2-amino-N-(cyclooctylmethyl)propanamide;hydrochloride
CID 119299452
2-amino-3-cyclohexyl-N-hex-5-ynylpropanamide
CID 114264857
(2R)-2-amino-3-cyclopropyl-N-ethylpropanamide
CID 82668057
3-amino-4-(cyclobutylmethylamino)-4-oxobutanoic acid
CID 64895471
methyl 2-[(2-amino-3-cyclohexylpropanoyl)amino]-3-cyclohexylpropanoate
CID 171080468

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-cyclohexyl-N-[(3-hydroxycyclobutyl)methyl]propanamide?
The IUPAC name of 2-amino-3-cyclohexyl-N-[(3-hydroxycyclobutyl)methyl]propanamide (CID 114264790) is 2-amino-3-cyclohexyl-N-[(3-hydroxycyclobutyl)methyl]propanamide.
What is the SMILES notation for 2-amino-3-cyclohexyl-N-[(3-hydroxycyclobutyl)methyl]propanamide?
The canonical SMILES for 2-amino-3-cyclohexyl-N-[(3-hydroxycyclobutyl)methyl]propanamide is NC(CC1CCCCC1)C(=O)NCC1CC(O)C1.
What is the InChIKey of 2-amino-3-cyclohexyl-N-[(3-hydroxycyclobutyl)methyl]propanamide?
The InChIKey is LROJQPZJNAZCGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O2/c15-13(8-10-4-2-1-3-5-10)14(18)16-9-11-6-12(17)7-11/h10-13,17H,1-9,15H2,(H,16,18).
What are the key properties of 2-amino-3-cyclohexyl-N-[(3-hydroxycyclobutyl)methyl]propanamide?
2-amino-3-cyclohexyl-N-[(3-hydroxycyclobutyl)methyl]propanamide has a molecular weight of 254.37 g/mol, XLogP of 1.17, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-cyclohexyl-N-[(3-hydroxycyclobutyl)methyl]propanamide is sourced from PubChem (CID 114264790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).