N-[[1-(dimethylamino)cyclohexyl]methyl]-3-phenylbutanamide

C19H30N2O — CID 4787583

IUPACN-[[1-(dimethylamino)cyclohexyl]methyl]-3-phenylbutanamide
SMILESCC(CC(=O)NCC1(N(C)C)CCCCC1)c1ccccc1
InChIInChI=1S/C19H30N2O/c1-16(17-10-6-4-7-11-17)14-18(22)20-15-19(21(2)3)12-8-5-9-13-19/h4,6-7,10-11,16H,5,8-9,12-15H2,1-3H3,(H,20,22)
InChIKeyYQNKOWXUTRVZPV-UHFFFAOYSA-N
MW302.46 g/mol
LogP3.56
Rot. Bonds6

About N-[[1-(dimethylamino)cyclohexyl]methyl]-3-phenylbutanamide

N-[[1-(dimethylamino)cyclohexyl]methyl]-3-phenylbutanamide (PubChem CID 4787583) has the molecular formula C19H30N2O and a molecular weight of 302.46 g/mol. Its IUPAC name is N-[[1-(dimethylamino)cyclohexyl]methyl]-3-phenylbutanamide.

Molecular Properties

Compound NameN-[[1-(dimethylamino)cyclohexyl]methyl]-3-phenylbutanamide
PubChem CID4787583
Molecular FormulaC19H30N2O
Molecular Weight302.46 g/mol
Exact Mass302.24
IUPAC NameN-[[1-(dimethylamino)cyclohexyl]methyl]-3-phenylbutanamide
SMILESCC(CC(=O)NCC1(N(C)C)CCCCC1)c1ccccc1
InChIInChI=1S/C19H30N2O/c1-16(17-10-6-4-7-11-17)14-18(22)20-15-19(21(2)3)12-8-5-9-13-19/h4,6-7,10-11,16H,5,8-9,12-15H2,1-3H3,(H,20,22)
InChIKeyYQNKOWXUTRVZPV-UHFFFAOYSA-N
XLogP3.56
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.46
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1-hydroxycyclopentyl)methyl]-3-phenylbutanamide
CID 110626464
N,N'-bis[[1-(dimethylamino)cyclohexyl]methyl]-3-methylpentanediamide
CID 167805292
3-amino-N-[[1-(dimethylamino)cycloheptyl]methyl]butanamide
CID 119834021
(2S)-2-amino-N-[[1-(dimethylamino)cyclohexyl]methyl]-2-phenylacetamide
CID 104897629
2-anilino-N-[[1-(dimethylamino)cyclobutyl]methyl]acetamide
CID 105417171
N-[[1-(dimethylamino)cyclohexyl]methyl]-3-(propan-2-ylamino)propanamide
CID 61248624
3-(3-fluorophenyl)-N-[(1-hydroxycyclohexyl)methyl]butanamide
CID 111485734
N-[[1-(dimethylamino)cycloheptyl]methyl]-2-(1,3-dioxoisoindol-2-yl)acetamide
CID 16559242
N-[(1-methyl-4-morpholin-4-ylpiperidin-4-yl)methyl]-3-phenylbutanamide
CID 110622688
1-[[3-(3-methoxyphenyl)butanoylamino]methyl]cyclohexane-1-carboxylic acid
CID 120545023
(3S)-N-cyclopentyl-3-phenylbutanamide
CID 697485
N-[[1-(dimethylamino)cyclopentyl]methyl]-3-oxobutanamide
CID 83109875

Frequently Asked Questions

What is the IUPAC name of N-[[1-(dimethylamino)cyclohexyl]methyl]-3-phenylbutanamide?
The IUPAC name of N-[[1-(dimethylamino)cyclohexyl]methyl]-3-phenylbutanamide (CID 4787583) is N-[[1-(dimethylamino)cyclohexyl]methyl]-3-phenylbutanamide.
What is the SMILES notation for N-[[1-(dimethylamino)cyclohexyl]methyl]-3-phenylbutanamide?
The canonical SMILES for N-[[1-(dimethylamino)cyclohexyl]methyl]-3-phenylbutanamide is CC(CC(=O)NCC1(N(C)C)CCCCC1)c1ccccc1.
What is the InChIKey of N-[[1-(dimethylamino)cyclohexyl]methyl]-3-phenylbutanamide?
The InChIKey is YQNKOWXUTRVZPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O/c1-16(17-10-6-4-7-11-17)14-18(22)20-15-19(21(2)3)12-8-5-9-13-19/h4,6-7,10-11,16H,5,8-9,12-15H2,1-3H3,(H,20,22).
What are the key properties of N-[[1-(dimethylamino)cyclohexyl]methyl]-3-phenylbutanamide?
N-[[1-(dimethylamino)cyclohexyl]methyl]-3-phenylbutanamide has a molecular weight of 302.46 g/mol, XLogP of 3.56, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(dimethylamino)cyclohexyl]methyl]-3-phenylbutanamide is sourced from PubChem (CID 4787583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).