4-amino-N-methyl-N-phenyltetradecanamide

C21H36N2O — CID 154348615

IUPAC4-amino-N-methyl-N-phenyltetradecanamide
SMILESCCCCCCCCCCC(N)CCC(=O)N(C)c1ccccc1
InChIInChI=1S/C21H36N2O/c1-3-4-5-6-7-8-9-11-14-19(22)17-18-21(24)23(2)20-15-12-10-13-16-20/h10,12-13,15-16,19H,3-9,11,14,17-18,22H2,1-2H3
InChIKeyBNSZRRKCDQCYBZ-UHFFFAOYSA-N
MW332.53 g/mol
LogP5.29
Rot. Bonds13

About 4-amino-N-methyl-N-phenyltetradecanamide

4-amino-N-methyl-N-phenyltetradecanamide (PubChem CID 154348615) has the molecular formula C21H36N2O and a molecular weight of 332.53 g/mol. Its IUPAC name is 4-amino-N-methyl-N-phenyltetradecanamide.

Molecular Properties

Compound Name4-amino-N-methyl-N-phenyltetradecanamide
PubChem CID154348615
Molecular FormulaC21H36N2O
Molecular Weight332.53 g/mol
Exact Mass332.28
IUPAC Name4-amino-N-methyl-N-phenyltetradecanamide
SMILESCCCCCCCCCCC(N)CCC(=O)N(C)c1ccccc1
InChIInChI=1S/C21H36N2O/c1-3-4-5-6-7-8-9-11-14-19(22)17-18-21(24)23(2)20-15-12-10-13-16-20/h10,12-13,15-16,19H,3-9,11,14,17-18,22H2,1-2H3
InChIKeyBNSZRRKCDQCYBZ-UHFFFAOYSA-N
XLogP5.29
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500332.53
LogP ≤ 55.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-methyl-N-phenylnonanamide
CID 54136731
tetradecyl 4-(N-methylanilino)-4-oxobutanoate
CID 91704094
4-amino-N-phenyldodecanamide
CID 154099763
N,2-dimethyl-N-phenylprop-2-enamide;tridecane
CID 91328548
4-aminoicosanoic acid
CID 57269724
4-aminooctadecanoic acid
CID 154390224
4-amino-N-butyl-N-phenylpentanamide
CID 64585388
3-hydroxy-N-methyl-N-phenylpropanamide
CID 82111467
3-amino-1-phenyloctadecan-1-one
CID 54040118
18-(N-methylanilino)-18-oxo-9-sulfooxyoctadecanoic acid
CID 102601797
4-chloro-N-methyl-N-phenylbutanamide
CID 16780864
acetic acid;heptatriacontan-19-amine
CID 173373447

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-methyl-N-phenyltetradecanamide?
The IUPAC name of 4-amino-N-methyl-N-phenyltetradecanamide (CID 154348615) is 4-amino-N-methyl-N-phenyltetradecanamide.
What is the SMILES notation for 4-amino-N-methyl-N-phenyltetradecanamide?
The canonical SMILES for 4-amino-N-methyl-N-phenyltetradecanamide is CCCCCCCCCCC(N)CCC(=O)N(C)c1ccccc1.
What is the InChIKey of 4-amino-N-methyl-N-phenyltetradecanamide?
The InChIKey is BNSZRRKCDQCYBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H36N2O/c1-3-4-5-6-7-8-9-11-14-19(22)17-18-21(24)23(2)20-15-12-10-13-16-20/h10,12-13,15-16,19H,3-9,11,14,17-18,22H2,1-2H3.
What are the key properties of 4-amino-N-methyl-N-phenyltetradecanamide?
4-amino-N-methyl-N-phenyltetradecanamide has a molecular weight of 332.53 g/mol, XLogP of 5.29, 13 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-methyl-N-phenyltetradecanamide is sourced from PubChem (CID 154348615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).