4-amino-N-[5-methyl-2-(3-phenylpropanoylamino)phenyl]butanamide

C20H25N3O2 — CID 39193717

IUPAC4-amino-N-[5-methyl-2-(3-phenylpropanoylamino)phenyl]butanamide
SMILESCc1ccc(NC(=O)CCc2ccccc2)c(NC(=O)CCCN)c1
InChIInChI=1S/C20H25N3O2/c1-15-9-11-17(18(14-15)23-19(24)8-5-13-21)22-20(25)12-10-16-6-3-2-4-7-16/h2-4,6-7,9,11,14H,5,8,10,12-13,21H2,1H3,(H,22,25)(H,23,24)
InChIKeyQKUXUSISNQILEQ-UHFFFAOYSA-N
MW339.44 g/mol
LogP3.24
Rot. Bonds8

About 4-amino-N-[5-methyl-2-(3-phenylpropanoylamino)phenyl]butanamide

4-amino-N-[5-methyl-2-(3-phenylpropanoylamino)phenyl]butanamide (PubChem CID 39193717) has the molecular formula C20H25N3O2 and a molecular weight of 339.44 g/mol. Its IUPAC name is 4-amino-N-[5-methyl-2-(3-phenylpropanoylamino)phenyl]butanamide.

Molecular Properties

Compound Name4-amino-N-[5-methyl-2-(3-phenylpropanoylamino)phenyl]butanamide
PubChem CID39193717
Molecular FormulaC20H25N3O2
Molecular Weight339.44 g/mol
Exact Mass339.19
IUPAC Name4-amino-N-[5-methyl-2-(3-phenylpropanoylamino)phenyl]butanamide
SMILESCc1ccc(NC(=O)CCc2ccccc2)c(NC(=O)CCCN)c1
InChIInChI=1S/C20H25N3O2/c1-15-9-11-17(18(14-15)23-19(24)8-5-13-21)22-20(25)12-10-16-6-3-2-4-7-16/h2-4,6-7,9,11,14H,5,8,10,12-13,21H2,1H3,(H,22,25)(H,23,24)
InChIKeyQKUXUSISNQILEQ-UHFFFAOYSA-N
XLogP3.24
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 53.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[(2-aminoacetyl)amino]-4-methylphenyl]-3-(4-methylphenyl)propanamide
CID 39185832
N-[2-(4-aminobutanoylamino)-4-methylphenyl]furan-2-carboxamide
CID 39193662
N-[2-(3-aminopropanoylamino)-4-methylphenyl]pentanamide
CID 82034599
N-(2-bromo-4-methylphenyl)-3-phenylpropanamide
CID 730069
N-(2-acetamido-5-methylphenyl)-3-aminopropanamide
CID 82034596
4-amino-N-(2-bromo-5-methylphenyl)butanamide
CID 82757472
N-[2-(4-aminobutanoylamino)phenyl]-4-methylbenzamide
CID 39192976
2-amino-N-[2-(benzylamino)-5-methylphenyl]acetamide
CID 71496221
N-[2-[(2-aminoacetyl)amino]-4-fluorophenyl]-3-(4-methylphenyl)propanamide
CID 39184050
N-(4-methylphenyl)-3-phenylpropanamide
CID 778861
3,4-bis(3-phenylpropanoylamino)benzoate
CID 6980736
N-(2-hydroxy-4-methylphenyl)-3-(3-methylphenyl)propanamide
CID 47128848

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[5-methyl-2-(3-phenylpropanoylamino)phenyl]butanamide?
The IUPAC name of 4-amino-N-[5-methyl-2-(3-phenylpropanoylamino)phenyl]butanamide (CID 39193717) is 4-amino-N-[5-methyl-2-(3-phenylpropanoylamino)phenyl]butanamide.
What is the SMILES notation for 4-amino-N-[5-methyl-2-(3-phenylpropanoylamino)phenyl]butanamide?
The canonical SMILES for 4-amino-N-[5-methyl-2-(3-phenylpropanoylamino)phenyl]butanamide is Cc1ccc(NC(=O)CCc2ccccc2)c(NC(=O)CCCN)c1.
What is the InChIKey of 4-amino-N-[5-methyl-2-(3-phenylpropanoylamino)phenyl]butanamide?
The InChIKey is QKUXUSISNQILEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O2/c1-15-9-11-17(18(14-15)23-19(24)8-5-13-21)22-20(25)12-10-16-6-3-2-4-7-16/h2-4,6-7,9,11,14H,5,8,10,12-13,21H2,1H3,(H,22,25)(H,23,24).
What are the key properties of 4-amino-N-[5-methyl-2-(3-phenylpropanoylamino)phenyl]butanamide?
4-amino-N-[5-methyl-2-(3-phenylpropanoylamino)phenyl]butanamide has a molecular weight of 339.44 g/mol, XLogP of 3.24, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[5-methyl-2-(3-phenylpropanoylamino)phenyl]butanamide is sourced from PubChem (CID 39193717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).