4-amino-3-methyl-N-pentyl-N-propan-2-ylbenzamide

C16H26N2O — CID 54905965

IUPAC4-amino-3-methyl-N-pentyl-N-propan-2-ylbenzamide
SMILESCCCCCN(C(=O)c1ccc(N)c(C)c1)C(C)C
InChIInChI=1S/C16H26N2O/c1-5-6-7-10-18(12(2)3)16(19)14-8-9-15(17)13(4)11-14/h8-9,11-12H,5-7,10,17H2,1-4H3
InChIKeyYDUMKDYONHJUAX-UHFFFAOYSA-N
MW262.40 g/mol
LogP3.62
Rot. Bonds6

About 4-amino-3-methyl-N-pentyl-N-propan-2-ylbenzamide

4-amino-3-methyl-N-pentyl-N-propan-2-ylbenzamide (PubChem CID 54905965) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is 4-amino-3-methyl-N-pentyl-N-propan-2-ylbenzamide.

Molecular Properties

Compound Name4-amino-3-methyl-N-pentyl-N-propan-2-ylbenzamide
PubChem CID54905965
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC Name4-amino-3-methyl-N-pentyl-N-propan-2-ylbenzamide
SMILESCCCCCN(C(=O)c1ccc(N)c(C)c1)C(C)C
InChIInChI=1S/C16H26N2O/c1-5-6-7-10-18(12(2)3)16(19)14-8-9-15(17)13(4)11-14/h8-9,11-12H,5-7,10,17H2,1-4H3
InChIKeyYDUMKDYONHJUAX-UHFFFAOYSA-N
XLogP3.62
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 ≤ 53.62
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 4-amino-3-methyl-N-pentyl-N-propan-2-ylbenzamide 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

4-amino-N,3-dimethyl-N-pentylbenzamide
CID 43294398
4-amino-N-pentyl-N-propan-2-ylbenzamide
CID 54905871
4-amino-N-pentyl-N-propan-2-ylbenzamide;hydrochloride
CID 119723192
4-amino-N,N-dibutyl-3-methylbenzamide
CID 28982328
2-amino-N-pentyl-N-propan-2-yl-1,3-benzothiazole-6-carboxamide
CID 65349489
3-chloro-4-hydroxy-N-pentyl-N-propan-2-ylbenzamide
CID 55001893
4-(aminomethyl)-N-pentyl-N-propan-2-ylbenzamide;hydrochloride
CID 119289264
N-(3-aminopropyl)-4-hydroxy-3-methyl-N-propan-2-ylbenzamide
CID 107673300
3-amino-4-bromo-N-(3-hydroxypropyl)-N-propan-2-ylbenzamide
CID 61140432
N-(2-aminoethyl)-3,4-dimethyl-N-propan-2-ylbenzamide
CID 28707889
3-bromo-5-chloro-N-pentyl-N-propan-2-ylbenzamide
CID 114019948
4-amino-3-fluoro-N-(2-hydroxyethyl)-N-propan-2-ylbenzamide
CID 62678688

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-methyl-N-pentyl-N-propan-2-ylbenzamide?
The IUPAC name of 4-amino-3-methyl-N-pentyl-N-propan-2-ylbenzamide (CID 54905965) is 4-amino-3-methyl-N-pentyl-N-propan-2-ylbenzamide.
What is the SMILES notation for 4-amino-3-methyl-N-pentyl-N-propan-2-ylbenzamide?
The canonical SMILES for 4-amino-3-methyl-N-pentyl-N-propan-2-ylbenzamide is CCCCCN(C(=O)c1ccc(N)c(C)c1)C(C)C.
What is the InChIKey of 4-amino-3-methyl-N-pentyl-N-propan-2-ylbenzamide?
The InChIKey is YDUMKDYONHJUAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-5-6-7-10-18(12(2)3)16(19)14-8-9-15(17)13(4)11-14/h8-9,11-12H,5-7,10,17H2,1-4H3.
What are the key properties of 4-amino-3-methyl-N-pentyl-N-propan-2-ylbenzamide?
4-amino-3-methyl-N-pentyl-N-propan-2-ylbenzamide has a molecular weight of 262.40 g/mol, XLogP of 3.62, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-methyl-N-pentyl-N-propan-2-ylbenzamide is sourced from PubChem (CID 54905965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).