N-[[1-(aminomethyl)cyclohexyl]methyl]-2-phenylbutanamide

C18H28N2O — CID 103970144

IUPACN-[[1-(aminomethyl)cyclohexyl]methyl]-2-phenylbutanamide
SMILESCCC(C(=O)NCC1(CN)CCCCC1)c1ccccc1
InChIInChI=1S/C18H28N2O/c1-2-16(15-9-5-3-6-10-15)17(21)20-14-18(13-19)11-7-4-8-12-18/h3,5-6,9-10,16H,2,4,7-8,11-14,19H2,1H3,(H,20,21)
InChIKeyQUGNPDMPWYZOLB-UHFFFAOYSA-N
MW288.43 g/mol
LogP3.21
Rot. Bonds6

About N-[[1-(aminomethyl)cyclohexyl]methyl]-2-phenylbutanamide

N-[[1-(aminomethyl)cyclohexyl]methyl]-2-phenylbutanamide (PubChem CID 103970144) has the molecular formula C18H28N2O and a molecular weight of 288.43 g/mol. Its IUPAC name is N-[[1-(aminomethyl)cyclohexyl]methyl]-2-phenylbutanamide.

Molecular Properties

Compound NameN-[[1-(aminomethyl)cyclohexyl]methyl]-2-phenylbutanamide
PubChem CID103970144
Molecular FormulaC18H28N2O
Molecular Weight288.43 g/mol
Exact Mass288.22
IUPAC NameN-[[1-(aminomethyl)cyclohexyl]methyl]-2-phenylbutanamide
SMILESCCC(C(=O)NCC1(CN)CCCCC1)c1ccccc1
InChIInChI=1S/C18H28N2O/c1-2-16(15-9-5-3-6-10-15)17(21)20-14-18(13-19)11-7-4-8-12-18/h3,5-6,9-10,16H,2,4,7-8,11-14,19H2,1H3,(H,20,21)
InChIKeyQUGNPDMPWYZOLB-UHFFFAOYSA-N
XLogP3.21
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.43
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1-aminocyclohexyl)methyl]-2-phenylbutanamide
CID 119404563
3-amino-N-[(1-ethylcyclopentyl)methyl]-2-phenylpropanamide
CID 103812586
N-[[1-(2-chloroethyl)cyclopropyl]methyl]-2-phenylbutanamide
CID 114757941
N-[(1-hydroxycyclobutyl)methyl]-2-phenylbutanamide
CID 115643598
N-[1-(aminomethyl)cyclohexyl]-2-phenylbutanamide
CID 63754584
2-[1-[[(3-amino-2-phenylpropanoyl)amino]methyl]cyclobutyl]acetic acid
CID 81164548
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-phenylbutanamide
CID 120887701
2-phenyl-N-(piperidin-1-ylmethyl)butanamide
CID 117066964
(2S)-N-[(1-ethylcyclobutyl)methyl]-2-hydroxy-2-phenylacetamide
CID 167798849
N-[[1-(hydroxymethyl)cyclopentyl]methyl]-2,2-diphenylacetamide
CID 110416741
N-[[1-(aminomethyl)cyclohexyl]methyl]-1-phenylcyclopropane-1-carboxamide
CID 103970193
N-(2-bromoethyl)-2-phenylbutanamide
CID 4632577

Frequently Asked Questions

What is the IUPAC name of N-[[1-(aminomethyl)cyclohexyl]methyl]-2-phenylbutanamide?
The IUPAC name of N-[[1-(aminomethyl)cyclohexyl]methyl]-2-phenylbutanamide (CID 103970144) is N-[[1-(aminomethyl)cyclohexyl]methyl]-2-phenylbutanamide.
What is the SMILES notation for N-[[1-(aminomethyl)cyclohexyl]methyl]-2-phenylbutanamide?
The canonical SMILES for N-[[1-(aminomethyl)cyclohexyl]methyl]-2-phenylbutanamide is CCC(C(=O)NCC1(CN)CCCCC1)c1ccccc1.
What is the InChIKey of N-[[1-(aminomethyl)cyclohexyl]methyl]-2-phenylbutanamide?
The InChIKey is QUGNPDMPWYZOLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O/c1-2-16(15-9-5-3-6-10-15)17(21)20-14-18(13-19)11-7-4-8-12-18/h3,5-6,9-10,16H,2,4,7-8,11-14,19H2,1H3,(H,20,21).
What are the key properties of N-[[1-(aminomethyl)cyclohexyl]methyl]-2-phenylbutanamide?
N-[[1-(aminomethyl)cyclohexyl]methyl]-2-phenylbutanamide has a molecular weight of 288.43 g/mol, XLogP of 3.21, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(aminomethyl)cyclohexyl]methyl]-2-phenylbutanamide is sourced from PubChem (CID 103970144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).