N-[3-(4-aminobutanoylamino)-4-methylphenyl]pentanamide

C16H25N3O2 — CID 39193331

IUPACN-[3-(4-aminobutanoylamino)-4-methylphenyl]pentanamide
SMILESCCCCC(=O)Nc1ccc(C)c(NC(=O)CCCN)c1
InChIInChI=1S/C16H25N3O2/c1-3-4-6-15(20)18-13-9-8-12(2)14(11-13)19-16(21)7-5-10-17/h8-9,11H,3-7,10,17H2,1-2H3,(H,18,20)(H,19,21)
InChIKeyYZOQSRGLEWDBGF-UHFFFAOYSA-N
MW291.40 g/mol
LogP2.80
Rot. Bonds8

About N-[3-(4-aminobutanoylamino)-4-methylphenyl]pentanamide

N-[3-(4-aminobutanoylamino)-4-methylphenyl]pentanamide (PubChem CID 39193331) has the molecular formula C16H25N3O2 and a molecular weight of 291.40 g/mol. Its IUPAC name is N-[3-(4-aminobutanoylamino)-4-methylphenyl]pentanamide.

Molecular Properties

Compound NameN-[3-(4-aminobutanoylamino)-4-methylphenyl]pentanamide
PubChem CID39193331
Molecular FormulaC16H25N3O2
Molecular Weight291.40 g/mol
Exact Mass291.19
IUPAC NameN-[3-(4-aminobutanoylamino)-4-methylphenyl]pentanamide
SMILESCCCCC(=O)Nc1ccc(C)c(NC(=O)CCCN)c1
InChIInChI=1S/C16H25N3O2/c1-3-4-6-15(20)18-13-9-8-12(2)14(11-13)19-16(21)7-5-10-17/h8-9,11H,3-7,10,17H2,1-2H3,(H,18,20)(H,19,21)
InChIKeyYZOQSRGLEWDBGF-UHFFFAOYSA-N
XLogP2.80
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.40
LogP ≤ 52.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(4-aminobutanoylamino)-2-methylphenyl]pentanamide
CID 39193527
6-amino-N-[2-methyl-5-(propanoylamino)phenyl]hexanamide
CID 43700728
N-[3-(4-aminobutanoylamino)-4-chlorophenyl]pentanamide
CID 39193099
N-[3-(4-aminobutanoylamino)-4-methylphenyl]benzamide
CID 39193375
N-[3-(4-aminobutanoylamino)-4-methylphenyl]pyridine-4-carboxamide
CID 39193427
7-amino-N-[3-(2,2-dimethylpropanoylamino)-4-methylphenyl]heptanamide
CID 119780750
N-[3-[(2-aminoacetyl)amino]-4-ethylphenyl]pentanamide
CID 39185216
4-amino-N-(5-fluoro-2-methylphenyl)butanamide;hydrochloride
CID 119263253
5-bromo-N-[2-methyl-5-(propanoylamino)phenyl]pentanamide
CID 107908652
N-(5-iodo-2-methylphenyl)pentanamide
CID 130168054
N-[5-(aminomethyl)-2-methylphenyl]hexanamide
CID 62104488
4-amino-N-(4-bromo-3-methylphenyl)butanamide
CID 22692281

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-aminobutanoylamino)-4-methylphenyl]pentanamide?
The IUPAC name of N-[3-(4-aminobutanoylamino)-4-methylphenyl]pentanamide (CID 39193331) is N-[3-(4-aminobutanoylamino)-4-methylphenyl]pentanamide.
What is the SMILES notation for N-[3-(4-aminobutanoylamino)-4-methylphenyl]pentanamide?
The canonical SMILES for N-[3-(4-aminobutanoylamino)-4-methylphenyl]pentanamide is CCCCC(=O)Nc1ccc(C)c(NC(=O)CCCN)c1.
What is the InChIKey of N-[3-(4-aminobutanoylamino)-4-methylphenyl]pentanamide?
The InChIKey is YZOQSRGLEWDBGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2/c1-3-4-6-15(20)18-13-9-8-12(2)14(11-13)19-16(21)7-5-10-17/h8-9,11H,3-7,10,17H2,1-2H3,(H,18,20)(H,19,21).
What are the key properties of N-[3-(4-aminobutanoylamino)-4-methylphenyl]pentanamide?
N-[3-(4-aminobutanoylamino)-4-methylphenyl]pentanamide has a molecular weight of 291.40 g/mol, XLogP of 2.80, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-aminobutanoylamino)-4-methylphenyl]pentanamide is sourced from PubChem (CID 39193331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).