N-(1-aminopropan-2-yl)-N-methyl-3-(4-methylphenyl)pentanamide

C16H26N2O — CID 119581659

IUPACN-(1-aminopropan-2-yl)-N-methyl-3-(4-methylphenyl)pentanamide
SMILESCCC(CC(=O)N(C)C(C)CN)c1ccc(C)cc1
InChIInChI=1S/C16H26N2O/c1-5-14(15-8-6-12(2)7-9-15)10-16(19)18(4)13(3)11-17/h6-9,13-14H,5,10-11,17H2,1-4H3
InChIKeyZWADMLVNJTZDRQ-UHFFFAOYSA-N
MW262.40 g/mol
LogP2.68
Rot. Bonds6

About N-(1-aminopropan-2-yl)-N-methyl-3-(4-methylphenyl)pentanamide

N-(1-aminopropan-2-yl)-N-methyl-3-(4-methylphenyl)pentanamide (PubChem CID 119581659) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is N-(1-aminopropan-2-yl)-N-methyl-3-(4-methylphenyl)pentanamide.

Molecular Properties

Compound NameN-(1-aminopropan-2-yl)-N-methyl-3-(4-methylphenyl)pentanamide
PubChem CID119581659
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC NameN-(1-aminopropan-2-yl)-N-methyl-3-(4-methylphenyl)pentanamide
SMILESCCC(CC(=O)N(C)C(C)CN)c1ccc(C)cc1
InChIInChI=1S/C16H26N2O/c1-5-14(15-8-6-12(2)7-9-15)10-16(19)18(4)13(3)11-17/h6-9,13-14H,5,10-11,17H2,1-4H3
InChIKeyZWADMLVNJTZDRQ-UHFFFAOYSA-N
XLogP2.68
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1-aminopropan-2-yl)-N-methyl-3-(4-methylphenyl)pentanamide;hydrochloride
CID 119581658
N-(1-aminopropan-2-yl)-N-methyl-4-(4-methylphenyl)butanamide
CID 119584493
2-[3-(4-methylphenyl)pentanoyl-propan-2-ylamino]acetic acid
CID 119198808
N-(1-aminopropan-2-yl)-N-methyl-5-(4-methylphenyl)pentanamide
CID 119582075
N-(1-amino-4-methylpentan-2-yl)-3-(4-methylphenyl)pentanamide
CID 119585731
N-(1-aminopropan-2-yl)-N-methyl-3-(4-propan-2-ylphenyl)propanamide
CID 119585107
N-(1-aminopropan-2-yl)-N-methyl-2-(5-methyl-1,3-dioxoisoindol-2-yl)acetamide
CID 119582495
N-methyl-3-(4-methylphenyl)-N-pyrrolidin-3-ylpentanamide
CID 119550358
N-(1-aminopropan-2-yl)-2-(2,5-dimethylphenyl)-N-methylacetamide;hydrochloride
CID 119584413
4-methyl-2-(4-methylphenyl)hexan-1-amine
CID 79436258
2-amino-N-methyl-2-(4-methylphenyl)-N-pentan-3-ylacetamide
CID 114172087
N-(1-aminopropan-2-yl)-N-methyl-3-(4-propan-2-ylphenoxy)propanamide;hydrochloride
CID 119582078

Frequently Asked Questions

What is the IUPAC name of N-(1-aminopropan-2-yl)-N-methyl-3-(4-methylphenyl)pentanamide?
The IUPAC name of N-(1-aminopropan-2-yl)-N-methyl-3-(4-methylphenyl)pentanamide (CID 119581659) is N-(1-aminopropan-2-yl)-N-methyl-3-(4-methylphenyl)pentanamide.
What is the SMILES notation for N-(1-aminopropan-2-yl)-N-methyl-3-(4-methylphenyl)pentanamide?
The canonical SMILES for N-(1-aminopropan-2-yl)-N-methyl-3-(4-methylphenyl)pentanamide is CCC(CC(=O)N(C)C(C)CN)c1ccc(C)cc1.
What is the InChIKey of N-(1-aminopropan-2-yl)-N-methyl-3-(4-methylphenyl)pentanamide?
The InChIKey is ZWADMLVNJTZDRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-5-14(15-8-6-12(2)7-9-15)10-16(19)18(4)13(3)11-17/h6-9,13-14H,5,10-11,17H2,1-4H3.
What are the key properties of N-(1-aminopropan-2-yl)-N-methyl-3-(4-methylphenyl)pentanamide?
N-(1-aminopropan-2-yl)-N-methyl-3-(4-methylphenyl)pentanamide has a molecular weight of 262.40 g/mol, XLogP of 2.68, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-aminopropan-2-yl)-N-methyl-3-(4-methylphenyl)pentanamide is sourced from PubChem (CID 119581659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).