N-methyl-4-(2-propylanilino)butanamide

C14H22N2O — CID 63891193

IUPACN-methyl-4-(2-propylanilino)butanamide
SMILESCCCc1ccccc1NCCCC(=O)NC
InChIInChI=1S/C14H22N2O/c1-3-7-12-8-4-5-9-13(12)16-11-6-10-14(17)15-2/h4-5,8-9,16H,3,6-7,10-11H2,1-2H3,(H,15,17)
InChIKeyVCDXSNOJWVRKBZ-UHFFFAOYSA-N
MW234.34 g/mol
LogP2.58
Rot. Bonds7

About N-methyl-4-(2-propylanilino)butanamide

N-methyl-4-(2-propylanilino)butanamide (PubChem CID 63891193) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is N-methyl-4-(2-propylanilino)butanamide.

Molecular Properties

Compound NameN-methyl-4-(2-propylanilino)butanamide
PubChem CID63891193
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC NameN-methyl-4-(2-propylanilino)butanamide
SMILESCCCc1ccccc1NCCCC(=O)NC
InChIInChI=1S/C14H22N2O/c1-3-7-12-8-4-5-9-13(12)16-11-6-10-14(17)15-2/h4-5,8-9,16H,3,6-7,10-11H2,1-2H3,(H,15,17)
InChIKeyVCDXSNOJWVRKBZ-UHFFFAOYSA-N
XLogP2.58
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

methyl 4-(2-propylanilino)butanoate
CID 54963180
2-[2-(heptylamino)phenyl]-N-methylacetamide
CID 43692231
4-(2-iodoanilino)-N-methylbutanamide
CID 63891619
N-[2-(2-propylanilino)ethyl]acetamide
CID 107529290
N-(4,4-dimethylpentyl)-2-propylaniline
CID 114209394
N-(3-phenylpropyl)-2-propylaniline
CID 43687217
4-[(2-ethylanilino)methoxy]-N-methylbutanamide
CID 123929221
2-propyl-N-(4,4,4-trifluorobutyl)aniline
CID 113326332
N-(2-fluoroethyl)-2-propylaniline
CID 80695673
(Z)-2-ethyl-4-(2-propylanilino)but-2-enoic acid
CID 103246185
N-methyl-8-(2-prop-1-en-2-ylanilino)octanamide
CID 130335297
2-(2-butylanilino)ethanol
CID 139597188

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-(2-propylanilino)butanamide?
The IUPAC name of N-methyl-4-(2-propylanilino)butanamide (CID 63891193) is N-methyl-4-(2-propylanilino)butanamide.
What is the SMILES notation for N-methyl-4-(2-propylanilino)butanamide?
The canonical SMILES for N-methyl-4-(2-propylanilino)butanamide is CCCc1ccccc1NCCCC(=O)NC.
What is the InChIKey of N-methyl-4-(2-propylanilino)butanamide?
The InChIKey is VCDXSNOJWVRKBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c1-3-7-12-8-4-5-9-13(12)16-11-6-10-14(17)15-2/h4-5,8-9,16H,3,6-7,10-11H2,1-2H3,(H,15,17).
What are the key properties of N-methyl-4-(2-propylanilino)butanamide?
N-methyl-4-(2-propylanilino)butanamide has a molecular weight of 234.34 g/mol, XLogP of 2.58, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-(2-propylanilino)butanamide is sourced from PubChem (CID 63891193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).