N-[2-(3-aminopropanoylamino)-4-methylphenyl]pentanamide

C15H23N3O2 — CID 82034599

IUPACN-[2-(3-aminopropanoylamino)-4-methylphenyl]pentanamide
SMILESCCCCC(=O)Nc1ccc(C)cc1NC(=O)CCN
InChIInChI=1S/C15H23N3O2/c1-3-4-5-14(19)17-12-7-6-11(2)10-13(12)18-15(20)8-9-16/h6-7,10H,3-5,8-9,16H2,1-2H3,(H,17,19)(H,18,20)
InChIKeyCTAZZUGEFNCKOV-UHFFFAOYSA-N
MW277.37 g/mol
LogP2.41
Rot. Bonds7

About N-[2-(3-aminopropanoylamino)-4-methylphenyl]pentanamide

N-[2-(3-aminopropanoylamino)-4-methylphenyl]pentanamide (PubChem CID 82034599) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is N-[2-(3-aminopropanoylamino)-4-methylphenyl]pentanamide.

Molecular Properties

Compound NameN-[2-(3-aminopropanoylamino)-4-methylphenyl]pentanamide
PubChem CID82034599
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC NameN-[2-(3-aminopropanoylamino)-4-methylphenyl]pentanamide
SMILESCCCCC(=O)Nc1ccc(C)cc1NC(=O)CCN
InChIInChI=1S/C15H23N3O2/c1-3-4-5-14(19)17-12-7-6-11(2)10-13(12)18-15(20)8-9-16/h6-7,10H,3-5,8-9,16H2,1-2H3,(H,17,19)(H,18,20)
InChIKeyCTAZZUGEFNCKOV-UHFFFAOYSA-N
XLogP2.41
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 52.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-acetamido-5-methylphenyl)-3-aminopropanamide
CID 82034596
4-amino-N-[5-methyl-2-(3-phenylpropanoylamino)phenyl]butanamide
CID 39193717
3-amino-N-(2,4-dimethylphenyl)propanamide;hydrochloride
CID 50944164
N-(2-amino-5-methylphenyl)heptanamide
CID 114752035
N-[2-[(1-amino-2-chloroethylidene)amino]-4-methylphenyl]pentanamide
CID 169365917
N-[2-(4-aminobutanoylamino)-4-methylphenyl]furan-2-carboxamide
CID 39193662
4-amino-N-(2-bromo-5-methylphenyl)butanamide
CID 82757472
3-chloro-N-[2-(3-chloropropanoylamino)-4-methylphenyl]propanamide
CID 3509027
N-[4-(4-aminobutanoylamino)-2-methylphenyl]pentanamide
CID 39193527
N-[5-methyl-2-(pentanoylamino)phenyl]quinoxaline-5-carboxamide
CID 50959610
N-[5-methyl-2-(pentanoylamino)phenyl]pyrazolo[1,5-a]pyridine-2-carboxamide
CID 50982993
N-[5-methyl-2-(pentanoylamino)phenyl]oxolane-2-carboxamide
CID 17362633

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-aminopropanoylamino)-4-methylphenyl]pentanamide?
The IUPAC name of N-[2-(3-aminopropanoylamino)-4-methylphenyl]pentanamide (CID 82034599) is N-[2-(3-aminopropanoylamino)-4-methylphenyl]pentanamide.
What is the SMILES notation for N-[2-(3-aminopropanoylamino)-4-methylphenyl]pentanamide?
The canonical SMILES for N-[2-(3-aminopropanoylamino)-4-methylphenyl]pentanamide is CCCCC(=O)Nc1ccc(C)cc1NC(=O)CCN.
What is the InChIKey of N-[2-(3-aminopropanoylamino)-4-methylphenyl]pentanamide?
The InChIKey is CTAZZUGEFNCKOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2/c1-3-4-5-14(19)17-12-7-6-11(2)10-13(12)18-15(20)8-9-16/h6-7,10H,3-5,8-9,16H2,1-2H3,(H,17,19)(H,18,20).
What are the key properties of N-[2-(3-aminopropanoylamino)-4-methylphenyl]pentanamide?
N-[2-(3-aminopropanoylamino)-4-methylphenyl]pentanamide has a molecular weight of 277.37 g/mol, XLogP of 2.41, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-aminopropanoylamino)-4-methylphenyl]pentanamide is sourced from PubChem (CID 82034599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).