N-[[4-(3-aminopropylcarbamoyl)phenyl]methyl]-2-methylbenzamide

C19H23N3O2 — CID 82097440

IUPACN-[[4-(3-aminopropylcarbamoyl)phenyl]methyl]-2-methylbenzamide
SMILESCc1ccccc1C(=O)NCc1ccc(C(=O)NCCCN)cc1
InChIInChI=1S/C19H23N3O2/c1-14-5-2-3-6-17(14)19(24)22-13-15-7-9-16(10-8-15)18(23)21-12-4-11-20/h2-3,5-10H,4,11-13,20H2,1H3,(H,21,23)(H,22,24)
InChIKeyQIUNLMDRQPXJGY-UHFFFAOYSA-N
MW325.41 g/mol
LogP2.00
Rot. Bonds7

About N-[[4-(3-aminopropylcarbamoyl)phenyl]methyl]-2-methylbenzamide

N-[[4-(3-aminopropylcarbamoyl)phenyl]methyl]-2-methylbenzamide (PubChem CID 82097440) has the molecular formula C19H23N3O2 and a molecular weight of 325.41 g/mol. Its IUPAC name is N-[[4-(3-aminopropylcarbamoyl)phenyl]methyl]-2-methylbenzamide.

Molecular Properties

Compound NameN-[[4-(3-aminopropylcarbamoyl)phenyl]methyl]-2-methylbenzamide
PubChem CID82097440
Molecular FormulaC19H23N3O2
Molecular Weight325.41 g/mol
Exact Mass325.18
IUPAC NameN-[[4-(3-aminopropylcarbamoyl)phenyl]methyl]-2-methylbenzamide
SMILESCc1ccccc1C(=O)NCc1ccc(C(=O)NCCCN)cc1
InChIInChI=1S/C19H23N3O2/c1-14-5-2-3-6-17(14)19(24)22-13-15-7-9-16(10-8-15)18(23)21-12-4-11-20/h2-3,5-10H,4,11-13,20H2,1H3,(H,21,23)(H,22,24)
InChIKeyQIUNLMDRQPXJGY-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]-4-methylbenzamide
CID 82097442
N-(3-aminopropyl)-4-[[[2-(2,6-dimethylphenoxy)acetyl]amino]methyl]benzamide
CID 82097491
N-[(4-aminophenyl)methyl]-2-methylbenzamide
CID 60892796
N-[[4-(N'-hydroxycarbamimidoyl)phenyl]methyl]-2-methylbenzamide
CID 76932844
N-[5-[(4-hydroxyphenyl)methylcarbamoylamino]pentyl]-2-methylbenzamide
CID 170385161
N-(4-bromobutyl)-2-methylbenzamide
CID 106845968
ethyl [4-[3-[(2-methylbenzoyl)amino]propylcarbamoyl]phenyl] carbonate
CID 108932363
N-[[4-(3-aminopropylcarbamoyl)phenyl]methyl]-3,5-dinitrobenzamide
CID 82097526
N-(3-bromopropyl)-2-methylbenzamide
CID 43133629
4-N-[(2-methylphenyl)methyl]-1-N-(3-phenylpropyl)benzene-1,4-dicarboxamide
CID 109046799
N-(2-aminoethyl)-4-[(propanoylamino)methyl]benzamide
CID 39162903
N-(3-aminopropyl)-4-hydroxy-2-methylbenzamide
CID 107670534

Frequently Asked Questions

What is the IUPAC name of N-[[4-(3-aminopropylcarbamoyl)phenyl]methyl]-2-methylbenzamide?
The IUPAC name of N-[[4-(3-aminopropylcarbamoyl)phenyl]methyl]-2-methylbenzamide (CID 82097440) is N-[[4-(3-aminopropylcarbamoyl)phenyl]methyl]-2-methylbenzamide.
What is the SMILES notation for N-[[4-(3-aminopropylcarbamoyl)phenyl]methyl]-2-methylbenzamide?
The canonical SMILES for N-[[4-(3-aminopropylcarbamoyl)phenyl]methyl]-2-methylbenzamide is Cc1ccccc1C(=O)NCc1ccc(C(=O)NCCCN)cc1.
What is the InChIKey of N-[[4-(3-aminopropylcarbamoyl)phenyl]methyl]-2-methylbenzamide?
The InChIKey is QIUNLMDRQPXJGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O2/c1-14-5-2-3-6-17(14)19(24)22-13-15-7-9-16(10-8-15)18(23)21-12-4-11-20/h2-3,5-10H,4,11-13,20H2,1H3,(H,21,23)(H,22,24).
What are the key properties of N-[[4-(3-aminopropylcarbamoyl)phenyl]methyl]-2-methylbenzamide?
N-[[4-(3-aminopropylcarbamoyl)phenyl]methyl]-2-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]-2-methylbenzamide is sourced from PubChem (CID 82097440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).