N-[4-(4-aminobutanoylamino)-2-methylphenyl]pentanamide

C16H25N3O2 — CID 39193527

IUPACN-[4-(4-aminobutanoylamino)-2-methylphenyl]pentanamide
SMILESCCCCC(=O)Nc1ccc(NC(=O)CCCN)cc1C
InChIInChI=1S/C16H25N3O2/c1-3-4-6-16(21)19-14-9-8-13(11-12(14)2)18-15(20)7-5-10-17/h8-9,11H,3-7,10,17H2,1-2H3,(H,18,20)(H,19,21)
InChIKeyFTTLVLFOTRNJFB-UHFFFAOYSA-N
MW291.40 g/mol
LogP2.80
Rot. Bonds8

About N-[4-(4-aminobutanoylamino)-2-methylphenyl]pentanamide

N-[4-(4-aminobutanoylamino)-2-methylphenyl]pentanamide (PubChem CID 39193527) has the molecular formula C16H25N3O2 and a molecular weight of 291.40 g/mol. Its IUPAC name is N-[4-(4-aminobutanoylamino)-2-methylphenyl]pentanamide.

Molecular Properties

Compound NameN-[4-(4-aminobutanoylamino)-2-methylphenyl]pentanamide
PubChem CID39193527
Molecular FormulaC16H25N3O2
Molecular Weight291.40 g/mol
Exact Mass291.19
IUPAC NameN-[4-(4-aminobutanoylamino)-2-methylphenyl]pentanamide
SMILESCCCCC(=O)Nc1ccc(NC(=O)CCCN)cc1C
InChIInChI=1S/C16H25N3O2/c1-3-4-6-16(21)19-14-9-8-13(11-12(14)2)18-15(20)7-5-10-17/h8-9,11H,3-7,10,17H2,1-2H3,(H,18,20)(H,19,21)
InChIKeyFTTLVLFOTRNJFB-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-[3-(4-aminobutanoylamino)-4-methylphenyl]pentanamide
CID 39193331
N-[3-(4-aminobutanoylamino)-4-chlorophenyl]pentanamide
CID 39193099
N-(4-formamido-2-methylphenyl)pentanamide
CID 168653385
N-(4-acetamido-3-methylphenyl)-3-aminopropanamide
CID 43698824
4-amino-N-(4-bromo-3-methylphenyl)butanamide
CID 22692281
4-amino-N-(4-fluoro-3-methylphenyl)butanamide;hydrochloride
CID 119280533
N-[4-(4-aminobutanoylamino)-2-methylphenyl]furan-2-carboxamide;hydrochloride
CID 119300225
4-amino-N-[4-(diethylamino)-2-methylphenyl]butanamide
CID 22692306
6-amino-N-[2-methyl-5-(propanoylamino)phenyl]hexanamide
CID 43700728
N-[3-[(2-aminoacetyl)amino]-4-ethylphenyl]pentanamide
CID 39185216
N-(3,4-dimethylphenyl)dodecanamide
CID 4067786
N-[3-methyl-4-(methylamino)phenyl]butanamide
CID 175204219

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-aminobutanoylamino)-2-methylphenyl]pentanamide?
The IUPAC name of N-[4-(4-aminobutanoylamino)-2-methylphenyl]pentanamide (CID 39193527) is N-[4-(4-aminobutanoylamino)-2-methylphenyl]pentanamide.
What is the SMILES notation for N-[4-(4-aminobutanoylamino)-2-methylphenyl]pentanamide?
The canonical SMILES for N-[4-(4-aminobutanoylamino)-2-methylphenyl]pentanamide is CCCCC(=O)Nc1ccc(NC(=O)CCCN)cc1C.
What is the InChIKey of N-[4-(4-aminobutanoylamino)-2-methylphenyl]pentanamide?
The InChIKey is FTTLVLFOTRNJFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2/c1-3-4-6-16(21)19-14-9-8-13(11-12(14)2)18-15(20)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-[4-(4-aminobutanoylamino)-2-methylphenyl]pentanamide?
N-[4-(4-aminobutanoylamino)-2-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-[4-(4-aminobutanoylamino)-2-methylphenyl]pentanamide is sourced from PubChem (CID 39193527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).