N-(3-amino-4-methylpentyl)-4-(4-methoxyphenyl)-N-methyl-4-oxobutanamide

C18H28N2O3 — CID 119659123

IUPACN-(3-amino-4-methylpentyl)-4-(4-methoxyphenyl)-N-methyl-4-oxobutanamide
SMILESCOc1ccc(C(=O)CCC(=O)N(C)CCC(N)C(C)C)cc1
InChIInChI=1S/C18H28N2O3/c1-13(2)16(19)11-12-20(3)18(22)10-9-17(21)14-5-7-15(23-4)8-6-14/h5-8,13,16H,9-12,19H2,1-4H3
InChIKeyAPJDUNZDHIBPPD-UHFFFAOYSA-N
MW320.43 g/mol
LogP2.49
Rot. Bonds9

About N-(3-amino-4-methylpentyl)-4-(4-methoxyphenyl)-N-methyl-4-oxobutanamide

N-(3-amino-4-methylpentyl)-4-(4-methoxyphenyl)-N-methyl-4-oxobutanamide (PubChem CID 119659123) has the molecular formula C18H28N2O3 and a molecular weight of 320.43 g/mol. Its IUPAC name is N-(3-amino-4-methylpentyl)-4-(4-methoxyphenyl)-N-methyl-4-oxobutanamide.

Molecular Properties

Compound NameN-(3-amino-4-methylpentyl)-4-(4-methoxyphenyl)-N-methyl-4-oxobutanamide
PubChem CID119659123
Molecular FormulaC18H28N2O3
Molecular Weight320.43 g/mol
Exact Mass320.21
IUPAC NameN-(3-amino-4-methylpentyl)-4-(4-methoxyphenyl)-N-methyl-4-oxobutanamide
SMILESCOc1ccc(C(=O)CCC(=O)N(C)CCC(N)C(C)C)cc1
InChIInChI=1S/C18H28N2O3/c1-13(2)16(19)11-12-20(3)18(22)10-9-17(21)14-5-7-15(23-4)8-6-14/h5-8,13,16H,9-12,19H2,1-4H3
InChIKeyAPJDUNZDHIBPPD-UHFFFAOYSA-N
XLogP2.49
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.43
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-amino-4-methylpentyl)-4-(4-fluorophenyl)-N-methyl-4-oxobutanamide
CID 119659917
N-(3-amino-4-methylpentyl)-3-(3,5-dimethoxyphenyl)-N-methylpropanamide
CID 119658416
N-(3-amino-4-methylpentyl)-3-methoxy-N-methylpropanamide
CID 81485025
N-(3-amino-4-methylpentyl)-N-methyl-4-oxo-4-thiophen-2-ylbutanamide;hydrochloride
CID 119657257
N-(3-amino-4-methylpentyl)-3-[4-(difluoromethoxy)phenyl]-N-methylpropanamide
CID 119660115
N-(3-amino-4-methylpentyl)-3-(3,4-dimethylphenoxy)-N-methylpropanamide;hydrochloride
CID 119661117
N-(3-amino-4-methylpentyl)-1-[(4-methoxyphenyl)methyl]-N-methylpyrazole-4-carboxamide
CID 119659743
N-(3-amino-4-methylpentyl)-1-[(4-methoxyphenyl)methyl]-N-methylpyrazole-4-carboxamide;hydrochloride
CID 119659742
N-(3-amino-4-methylpentyl)-2-(4-bromophenoxy)-N-methylacetamide
CID 119657814
N-(3-amino-4-methylpentyl)-N-methyl-3-(4-propoxyphenyl)propanamide;hydrochloride
CID 119659796
3-[3-[(3-amino-4-methylpentyl)-methylamino]-3-oxopropoxy]benzamide
CID 119661293
3-[bis(3-methylbutyl)amino]-1-(4-methoxyphenyl)propan-1-one
CID 71671663

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-4-methylpentyl)-4-(4-methoxyphenyl)-N-methyl-4-oxobutanamide?
The IUPAC name of N-(3-amino-4-methylpentyl)-4-(4-methoxyphenyl)-N-methyl-4-oxobutanamide (CID 119659123) is N-(3-amino-4-methylpentyl)-4-(4-methoxyphenyl)-N-methyl-4-oxobutanamide.
What is the SMILES notation for N-(3-amino-4-methylpentyl)-4-(4-methoxyphenyl)-N-methyl-4-oxobutanamide?
The canonical SMILES for N-(3-amino-4-methylpentyl)-4-(4-methoxyphenyl)-N-methyl-4-oxobutanamide is COc1ccc(C(=O)CCC(=O)N(C)CCC(N)C(C)C)cc1.
What is the InChIKey of N-(3-amino-4-methylpentyl)-4-(4-methoxyphenyl)-N-methyl-4-oxobutanamide?
The InChIKey is APJDUNZDHIBPPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O3/c1-13(2)16(19)11-12-20(3)18(22)10-9-17(21)14-5-7-15(23-4)8-6-14/h5-8,13,16H,9-12,19H2,1-4H3.
What are the key properties of N-(3-amino-4-methylpentyl)-4-(4-methoxyphenyl)-N-methyl-4-oxobutanamide?
N-(3-amino-4-methylpentyl)-4-(4-methoxyphenyl)-N-methyl-4-oxobutanamide has a molecular weight of 320.43 g/mol, XLogP of 2.49, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-4-methylpentyl)-4-(4-methoxyphenyl)-N-methyl-4-oxobutanamide is sourced from PubChem (CID 119659123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).