N-[(1-aminocyclohexyl)methyl]-2-phenylbutanamide

C17H26N2O — CID 119404563

IUPACN-[(1-aminocyclohexyl)methyl]-2-phenylbutanamide
SMILESCCC(C(=O)NCC1(N)CCCCC1)c1ccccc1
InChIInChI=1S/C17H26N2O/c1-2-15(14-9-5-3-6-10-14)16(20)19-13-17(18)11-7-4-8-12-17/h3,5-6,9-10,15H,2,4,7-8,11-13,18H2,1H3,(H,19,20)
InChIKeyRUWPYKPLBHSTPN-UHFFFAOYSA-N
MW274.41 g/mol
LogP2.96
Rot. Bonds5

About N-[(1-aminocyclohexyl)methyl]-2-phenylbutanamide

N-[(1-aminocyclohexyl)methyl]-2-phenylbutanamide (PubChem CID 119404563) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is N-[(1-aminocyclohexyl)methyl]-2-phenylbutanamide.

Molecular Properties

Compound NameN-[(1-aminocyclohexyl)methyl]-2-phenylbutanamide
PubChem CID119404563
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC NameN-[(1-aminocyclohexyl)methyl]-2-phenylbutanamide
SMILESCCC(C(=O)NCC1(N)CCCCC1)c1ccccc1
InChIInChI=1S/C17H26N2O/c1-2-15(14-9-5-3-6-10-14)16(20)19-13-17(18)11-7-4-8-12-17/h3,5-6,9-10,15H,2,4,7-8,11-13,18H2,1H3,(H,19,20)
InChIKeyRUWPYKPLBHSTPN-UHFFFAOYSA-N
XLogP2.96
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[1-(aminomethyl)cyclohexyl]methyl]-2-phenylbutanamide
CID 103970144
N-[(1-hydroxycyclobutyl)methyl]-2-phenylbutanamide
CID 115643598
N-[[1-(2-chloroethyl)cyclopropyl]methyl]-2-phenylbutanamide
CID 114757941
N-[1-(aminomethyl)cyclohexyl]-2-phenylbutanamide
CID 63754584
3-amino-N-[(1-ethylcyclopentyl)methyl]-2-phenylpropanamide
CID 103812586
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-phenylbutanamide
CID 120887701
2-phenyl-N-(piperidin-1-ylmethyl)butanamide
CID 117066964
N-(2-bromoethyl)-2-phenylbutanamide
CID 4632577
2-(4-fluorophenyl)-N-[(1-hydroxycyclopentyl)methyl]butanamide
CID 110427438
N-cycloheptyl-2-phenylbutanamide
CID 2890971
2-[1-[[(3-amino-2-phenylpropanoyl)amino]methyl]cyclobutyl]acetic acid
CID 81164548
benzyl N-[(1-aminocycloheptyl)methyl]carbamate
CID 66523425

Frequently Asked Questions

What is the IUPAC name of N-[(1-aminocyclohexyl)methyl]-2-phenylbutanamide?
The IUPAC name of N-[(1-aminocyclohexyl)methyl]-2-phenylbutanamide (CID 119404563) is N-[(1-aminocyclohexyl)methyl]-2-phenylbutanamide.
What is the SMILES notation for N-[(1-aminocyclohexyl)methyl]-2-phenylbutanamide?
The canonical SMILES for N-[(1-aminocyclohexyl)methyl]-2-phenylbutanamide is CCC(C(=O)NCC1(N)CCCCC1)c1ccccc1.
What is the InChIKey of N-[(1-aminocyclohexyl)methyl]-2-phenylbutanamide?
The InChIKey is RUWPYKPLBHSTPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O/c1-2-15(14-9-5-3-6-10-14)16(20)19-13-17(18)11-7-4-8-12-17/h3,5-6,9-10,15H,2,4,7-8,11-13,18H2,1H3,(H,19,20).
What are the key properties of N-[(1-aminocyclohexyl)methyl]-2-phenylbutanamide?
N-[(1-aminocyclohexyl)methyl]-2-phenylbutanamide has a molecular weight of 274.41 g/mol, XLogP of 2.96, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-aminocyclohexyl)methyl]-2-phenylbutanamide is sourced from PubChem (CID 119404563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).