3-(4-aminophenyl)-N-pentyl-N-propan-2-ylbutanamide

C18H30N2O — CID 104502295

IUPAC3-(4-aminophenyl)-N-pentyl-N-propan-2-ylbutanamide
SMILESCCCCCN(C(=O)CC(C)c1ccc(N)cc1)C(C)C
InChIInChI=1S/C18H30N2O/c1-5-6-7-12-20(14(2)3)18(21)13-15(4)16-8-10-17(19)11-9-16/h8-11,14-15H,5-7,12-13,19H2,1-4H3
InChIKeyKCPJMUVXKPCXMY-UHFFFAOYSA-N
MW290.45 g/mol
LogP4.19
Rot. Bonds8

About 3-(4-aminophenyl)-N-pentyl-N-propan-2-ylbutanamide

3-(4-aminophenyl)-N-pentyl-N-propan-2-ylbutanamide (PubChem CID 104502295) has the molecular formula C18H30N2O and a molecular weight of 290.45 g/mol. Its IUPAC name is 3-(4-aminophenyl)-N-pentyl-N-propan-2-ylbutanamide.

Molecular Properties

Compound Name3-(4-aminophenyl)-N-pentyl-N-propan-2-ylbutanamide
PubChem CID104502295
Molecular FormulaC18H30N2O
Molecular Weight290.45 g/mol
Exact Mass290.24
IUPAC Name3-(4-aminophenyl)-N-pentyl-N-propan-2-ylbutanamide
SMILESCCCCCN(C(=O)CC(C)c1ccc(N)cc1)C(C)C
InChIInChI=1S/C18H30N2O/c1-5-6-7-12-20(14(2)3)18(21)13-15(4)16-8-10-17(19)11-9-16/h8-11,14-15H,5-7,12-13,19H2,1-4H3
InChIKeyKCPJMUVXKPCXMY-UHFFFAOYSA-N
XLogP4.19
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.45
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-(4-aminophenyl)-N-pentyl-N-propan-2-ylbutanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(4-aminophenyl)-N,N-dipropylbutanamide
CID 104501970
4-amino-N-pentyl-N-propan-2-ylbenzamide
CID 54905871
4-amino-N-pentyl-N-propan-2-ylbenzamide;hydrochloride
CID 119723192
3-(4-aminophenyl)-N-(5-hydroxypentyl)-N-methylbutanamide
CID 107199352
3-(4-aminophenyl)-N-[3-(dimethylamino)propyl]-N-methylbutanamide
CID 104502633
3-(4-aminophenyl)-N-[2-(dimethylamino)ethyl]-N-methylbutanamide
CID 104502632
2-(2-aminophenyl)-N-pentyl-N-propan-2-ylacetamide
CID 61105636
3-(4-aminophenyl)-N-propyl-N-prop-2-ynylbutanamide
CID 104502911
3-(4-aminophenyl)-N-octan-2-ylbutanamide
CID 104502252
3-(4-aminophenyl)-N-(cyclopropylmethyl)-N-propylbutanamide
CID 104502211
2-[3-(4-aminophenyl)butanoyl-(carboxymethyl)amino]acetic acid
CID 104502627
3-(4-aminophenyl)-N-methyl-N-[2-(methylamino)ethyl]butanamide
CID 104502669

Frequently Asked Questions

What is the IUPAC name of 3-(4-aminophenyl)-N-pentyl-N-propan-2-ylbutanamide?
The IUPAC name of 3-(4-aminophenyl)-N-pentyl-N-propan-2-ylbutanamide (CID 104502295) is 3-(4-aminophenyl)-N-pentyl-N-propan-2-ylbutanamide.
What is the SMILES notation for 3-(4-aminophenyl)-N-pentyl-N-propan-2-ylbutanamide?
The canonical SMILES for 3-(4-aminophenyl)-N-pentyl-N-propan-2-ylbutanamide is CCCCCN(C(=O)CC(C)c1ccc(N)cc1)C(C)C.
What is the InChIKey of 3-(4-aminophenyl)-N-pentyl-N-propan-2-ylbutanamide?
The InChIKey is KCPJMUVXKPCXMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O/c1-5-6-7-12-20(14(2)3)18(21)13-15(4)16-8-10-17(19)11-9-16/h8-11,14-15H,5-7,12-13,19H2,1-4H3.
What are the key properties of 3-(4-aminophenyl)-N-pentyl-N-propan-2-ylbutanamide?
3-(4-aminophenyl)-N-pentyl-N-propan-2-ylbutanamide has a molecular weight of 290.45 g/mol, XLogP of 4.19, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-aminophenyl)-N-pentyl-N-propan-2-ylbutanamide is sourced from PubChem (CID 104502295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).