N-[[4-(3-aminopropylcarbamoyl)phenyl]methyl]-4-methylbenzamide

C19H23N3O2 — CID 82097442

IUPACN-[[4-(3-aminopropylcarbamoyl)phenyl]methyl]-4-methylbenzamide
SMILESCc1ccc(C(=O)NCc2ccc(C(=O)NCCCN)cc2)cc1
InChIInChI=1S/C19H23N3O2/c1-14-3-7-16(8-4-14)19(24)22-13-15-5-9-17(10-6-15)18(23)21-12-2-11-20/h3-10H,2,11-13,20H2,1H3,(H,21,23)(H,22,24)
InChIKeyZCYLEEPIECVTKT-UHFFFAOYSA-N
MW325.41 g/mol
LogP2.00
Rot. Bonds7

About N-[[4-(3-aminopropylcarbamoyl)phenyl]methyl]-4-methylbenzamide

N-[[4-(3-aminopropylcarbamoyl)phenyl]methyl]-4-methylbenzamide (PubChem CID 82097442) has the molecular formula C19H23N3O2 and a molecular weight of 325.41 g/mol. Its IUPAC name is N-[[4-(3-aminopropylcarbamoyl)phenyl]methyl]-4-methylbenzamide.

Molecular Properties

Compound NameN-[[4-(3-aminopropylcarbamoyl)phenyl]methyl]-4-methylbenzamide
PubChem CID82097442
Molecular FormulaC19H23N3O2
Molecular Weight325.41 g/mol
Exact Mass325.18
IUPAC NameN-[[4-(3-aminopropylcarbamoyl)phenyl]methyl]-4-methylbenzamide
SMILESCc1ccc(C(=O)NCc2ccc(C(=O)NCCCN)cc2)cc1
InChIInChI=1S/C19H23N3O2/c1-14-3-7-16(8-4-14)19(24)22-13-15-5-9-17(10-6-15)18(23)21-12-2-11-20/h3-10H,2,11-13,20H2,1H3,(H,21,23)(H,22,24)
InChIKeyZCYLEEPIECVTKT-UHFFFAOYSA-N
XLogP2.00
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 52.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[[4-(3-aminopropylcarbamoyl)phenyl]methyl]-2-methylbenzamide
CID 82097440
N-[[4-(3-aminopropylcarbamoyl)phenyl]methyl]-3,5-dinitrobenzamide
CID 82097526
N-[(4-tert-butylphenyl)methyl]-4-methylbenzamide
CID 97423443
N-[2-(4-aminobutanoylamino)ethyl]-4-methylbenzamide
CID 54880623
N-(3-aminopropyl)-4-[[[2-(2,6-dimethylphenoxy)acetyl]amino]methyl]benzamide
CID 82097491
4-(methylamino)-N-[(4-methylphenyl)methyl]benzamide
CID 62167130
N-[(4-methylphenyl)methyl]-4-phenylbenzamide
CID 1228171
1-N-butyl-3-N-[(4-methylphenyl)methyl]benzene-1,3-dicarboxamide
CID 109051077
4-N-(3-aminopropyl)benzene-1,4-dicarboxamide
CID 11053215
4-(dimethylamino)-N-[(4-methylphenyl)methyl]benzamide
CID 669457
N-[(4-methylphenyl)methyl]-4-propan-2-ylbenzamide
CID 2671711
N-(4-aminobutyl)-2-(4-methylphenyl)acetamide
CID 60895939

Frequently Asked Questions

What is the IUPAC name of N-[[4-(3-aminopropylcarbamoyl)phenyl]methyl]-4-methylbenzamide?
The IUPAC name of N-[[4-(3-aminopropylcarbamoyl)phenyl]methyl]-4-methylbenzamide (CID 82097442) is N-[[4-(3-aminopropylcarbamoyl)phenyl]methyl]-4-methylbenzamide.
What is the SMILES notation for N-[[4-(3-aminopropylcarbamoyl)phenyl]methyl]-4-methylbenzamide?
The canonical SMILES for N-[[4-(3-aminopropylcarbamoyl)phenyl]methyl]-4-methylbenzamide is Cc1ccc(C(=O)NCc2ccc(C(=O)NCCCN)cc2)cc1.
What is the InChIKey of N-[[4-(3-aminopropylcarbamoyl)phenyl]methyl]-4-methylbenzamide?
The InChIKey is ZCYLEEPIECVTKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O2/c1-14-3-7-16(8-4-14)19(24)22-13-15-5-9-17(10-6-15)18(23)21-12-2-11-20/h3-10H,2,11-13,20H2,1H3,(H,21,23)(H,22,24).
What are the key properties of N-[[4-(3-aminopropylcarbamoyl)phenyl]methyl]-4-methylbenzamide?
N-[[4-(3-aminopropylcarbamoyl)phenyl]methyl]-4-methylbenzamide has a molecular weight of 325.41 g/mol, XLogP of 2.00, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(3-aminopropylcarbamoyl)phenyl]methyl]-4-methylbenzamide is sourced from PubChem (CID 82097442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).