3-methyl-N-[4-(pentylamino)phenyl]butanamide

C16H26N2O — CID 112985181

IUPAC3-methyl-N-[4-(pentylamino)phenyl]butanamide
SMILESCCCCCNc1ccc(NC(=O)CC(C)C)cc1
InChIInChI=1S/C16H26N2O/c1-4-5-6-11-17-14-7-9-15(10-8-14)18-16(19)12-13(2)3/h7-10,13,17H,4-6,11-12H2,1-3H3,(H,18,19)
InChIKeyOJEDXTUDPKZAPQ-UHFFFAOYSA-N
MW262.40 g/mol
LogP4.27
Rot. Bonds8

About 3-methyl-N-[4-(pentylamino)phenyl]butanamide

3-methyl-N-[4-(pentylamino)phenyl]butanamide (PubChem CID 112985181) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is 3-methyl-N-[4-(pentylamino)phenyl]butanamide.

Molecular Properties

Compound Name3-methyl-N-[4-(pentylamino)phenyl]butanamide
PubChem CID112985181
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC Name3-methyl-N-[4-(pentylamino)phenyl]butanamide
SMILESCCCCCNc1ccc(NC(=O)CC(C)C)cc1
InChIInChI=1S/C16H26N2O/c1-4-5-6-11-17-14-7-9-15(10-8-14)18-16(19)12-13(2)3/h7-10,13,17H,4-6,11-12H2,1-3H3,(H,18,19)
InChIKeyOJEDXTUDPKZAPQ-UHFFFAOYSA-N
XLogP4.27
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 54.27
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

N-[6-(butylamino)-3-pyridinyl]-3-methylbutanamide
CID 113009445
N-[4-[[2-(4-fluoroanilino)acetyl]amino]phenyl]-3-methylbutanamide
CID 54813431
N-butyl-1-[4-(3-methylbutanoylamino)phenyl]cyclopropane-1-carboxamide
CID 50821689
N-(4-hydroxyphenyl)-3-methylbutanamide
CID 836029
3-methyl-N-[4-(methylamino)phenyl]butanamide
CID 63090374
N-[6-(butylamino)pyridazin-3-yl]-3-methylbutanamide
CID 113038313
4-(heptylamino)-N-propan-2-ylbenzamide
CID 60935201
ethyl (2R)-2-[4-(3-methylbutanoylamino)anilino]propanoate
CID 95628149
4-oxo-2-(pentylamino)-4-(4-propan-2-ylanilino)butanoic acid
CID 3355492
4-(pentylamino)benzoate
CID 53422656
1-[4-(butylamino)phenyl]-3-methylurea
CID 43744434
3-methyl-N-[4-(phenylcarbamoylamino)phenyl]butanamide
CID 17193970

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[4-(pentylamino)phenyl]butanamide?
The IUPAC name of 3-methyl-N-[4-(pentylamino)phenyl]butanamide (CID 112985181) is 3-methyl-N-[4-(pentylamino)phenyl]butanamide.
What is the SMILES notation for 3-methyl-N-[4-(pentylamino)phenyl]butanamide?
The canonical SMILES for 3-methyl-N-[4-(pentylamino)phenyl]butanamide is CCCCCNc1ccc(NC(=O)CC(C)C)cc1.
What is the InChIKey of 3-methyl-N-[4-(pentylamino)phenyl]butanamide?
The InChIKey is OJEDXTUDPKZAPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-4-5-6-11-17-14-7-9-15(10-8-14)18-16(19)12-13(2)3/h7-10,13,17H,4-6,11-12H2,1-3H3,(H,18,19).
What are the key properties of 3-methyl-N-[4-(pentylamino)phenyl]butanamide?
3-methyl-N-[4-(pentylamino)phenyl]butanamide has a molecular weight of 262.40 g/mol, XLogP of 4.27, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[4-(pentylamino)phenyl]butanamide is sourced from PubChem (CID 112985181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).