N-(3-aminopropyl)-2,2-dimethyl-N-(3-methylphenyl)butanamide

C16H26N2O — CID 62677230

IUPACN-(3-aminopropyl)-2,2-dimethyl-N-(3-methylphenyl)butanamide
SMILESCCC(C)(C)C(=O)N(CCCN)c1cccc(C)c1
InChIInChI=1S/C16H26N2O/c1-5-16(3,4)15(19)18(11-7-10-17)14-9-6-8-13(2)12-14/h6,8-9,12H,5,7,10-11,17H2,1-4H3
InChIKeyCDPAISPJPJCKTJ-UHFFFAOYSA-N
MW262.40 g/mol
LogP3.11
Rot. Bonds6

About N-(3-aminopropyl)-2,2-dimethyl-N-(3-methylphenyl)butanamide

N-(3-aminopropyl)-2,2-dimethyl-N-(3-methylphenyl)butanamide (PubChem CID 62677230) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is N-(3-aminopropyl)-2,2-dimethyl-N-(3-methylphenyl)butanamide.

Molecular Properties

Compound NameN-(3-aminopropyl)-2,2-dimethyl-N-(3-methylphenyl)butanamide
PubChem CID62677230
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC NameN-(3-aminopropyl)-2,2-dimethyl-N-(3-methylphenyl)butanamide
SMILESCCC(C)(C)C(=O)N(CCCN)c1cccc(C)c1
InChIInChI=1S/C16H26N2O/c1-5-16(3,4)15(19)18(11-7-10-17)14-9-6-8-13(2)12-14/h6,8-9,12H,5,7,10-11,17H2,1-4H3
InChIKeyCDPAISPJPJCKTJ-UHFFFAOYSA-N
XLogP3.11
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 ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-butyl-2,2-dimethyl-N-(3-methylphenyl)butanamide
CID 71107115
N-(3-aminopropyl)-2,2-dimethyl-N-(3-methylphenyl)propanamide
CID 28766915
N-(3-aminopropyl)-N-(3-fluorophenyl)-2,2-dimethylbutanamide
CID 62677429
N-(3-aminopropyl)-2-ethoxy-N-(3-methylphenyl)acetamide
CID 43135951
N-(3-aminopropyl)-2-methyl-N-(3-methylphenyl)benzamide
CID 28766933
N-butyl-N-(3-ethylphenyl)-2,2-dimethylbutanamide
CID 71107442
2-amino-N-ethyl-2-methyl-N-(3-methylphenyl)butanamide
CID 79805432
N-(3-aminopropyl)-N-(3-methylphenyl)cyclohexanecarboxamide
CID 28766909
N-(3-aminopropyl)-1-methyl-N-(3-methylphenyl)cyclohexane-1-carboxamide
CID 106825939
N-(3-aminopropyl)-3-fluoro-N-(3-methylphenyl)benzamide
CID 28766949
N-(3-aminopropyl)-2-methyl-N-(3-methylphenyl)furan-3-carboxamide
CID 43135957
1-(3-methylphenyl)-1-pentylurea
CID 3032149

Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)-2,2-dimethyl-N-(3-methylphenyl)butanamide?
The IUPAC name of N-(3-aminopropyl)-2,2-dimethyl-N-(3-methylphenyl)butanamide (CID 62677230) is N-(3-aminopropyl)-2,2-dimethyl-N-(3-methylphenyl)butanamide.
What is the SMILES notation for N-(3-aminopropyl)-2,2-dimethyl-N-(3-methylphenyl)butanamide?
The canonical SMILES for N-(3-aminopropyl)-2,2-dimethyl-N-(3-methylphenyl)butanamide is CCC(C)(C)C(=O)N(CCCN)c1cccc(C)c1.
What is the InChIKey of N-(3-aminopropyl)-2,2-dimethyl-N-(3-methylphenyl)butanamide?
The InChIKey is CDPAISPJPJCKTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-5-16(3,4)15(19)18(11-7-10-17)14-9-6-8-13(2)12-14/h6,8-9,12H,5,7,10-11,17H2,1-4H3.
What are the key properties of N-(3-aminopropyl)-2,2-dimethyl-N-(3-methylphenyl)butanamide?
N-(3-aminopropyl)-2,2-dimethyl-N-(3-methylphenyl)butanamide has a molecular weight of 262.40 g/mol, XLogP of 3.11, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminopropyl)-2,2-dimethyl-N-(3-methylphenyl)butanamide is sourced from PubChem (CID 62677230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).