N-[[4-[(pentylamino)carbamoyl]phenyl]methyl]benzamide

C20H25N3O2 — CID 139558699

IUPACN-[[4-[(pentylamino)carbamoyl]phenyl]methyl]benzamide
SMILESCCCCCNNC(=O)c1ccc(CNC(=O)c2ccccc2)cc1
InChIInChI=1S/C20H25N3O2/c1-2-3-7-14-22-23-20(25)18-12-10-16(11-13-18)15-21-19(24)17-8-5-4-6-9-17/h4-6,8-13,22H,2-3,7,14-15H2,1H3,(H,21,24)(H,23,25)
InChIKeyHAPPIMWTPPPDNS-UHFFFAOYSA-N
MW339.44 g/mol
LogP3.04
Rot. Bonds9

About N-[[4-[(pentylamino)carbamoyl]phenyl]methyl]benzamide

N-[[4-[(pentylamino)carbamoyl]phenyl]methyl]benzamide (PubChem CID 139558699) has the molecular formula C20H25N3O2 and a molecular weight of 339.44 g/mol. Its IUPAC name is N-[[4-[(pentylamino)carbamoyl]phenyl]methyl]benzamide.

Molecular Properties

Compound NameN-[[4-[(pentylamino)carbamoyl]phenyl]methyl]benzamide
PubChem CID139558699
Molecular FormulaC20H25N3O2
Molecular Weight339.44 g/mol
Exact Mass339.19
IUPAC NameN-[[4-[(pentylamino)carbamoyl]phenyl]methyl]benzamide
SMILESCCCCCNNC(=O)c1ccc(CNC(=O)c2ccccc2)cc1
InChIInChI=1S/C20H25N3O2/c1-2-3-7-14-22-23-20(25)18-12-10-16(11-13-18)15-21-19(24)17-8-5-4-6-9-17/h4-6,8-13,22H,2-3,7,14-15H2,1H3,(H,21,24)(H,23,25)
InChIKeyHAPPIMWTPPPDNS-UHFFFAOYSA-N
XLogP3.04
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 53.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[[4-[(pentylamino)carbamoyl]phenyl]methyl]benzamide?
The IUPAC name of N-[[4-[(pentylamino)carbamoyl]phenyl]methyl]benzamide (CID 139558699) is N-[[4-[(pentylamino)carbamoyl]phenyl]methyl]benzamide.
What is the SMILES notation for N-[[4-[(pentylamino)carbamoyl]phenyl]methyl]benzamide?
The canonical SMILES for N-[[4-[(pentylamino)carbamoyl]phenyl]methyl]benzamide is CCCCCNNC(=O)c1ccc(CNC(=O)c2ccccc2)cc1.
What is the InChIKey of N-[[4-[(pentylamino)carbamoyl]phenyl]methyl]benzamide?
The InChIKey is HAPPIMWTPPPDNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O2/c1-2-3-7-14-22-23-20(25)18-12-10-16(11-13-18)15-21-19(24)17-8-5-4-6-9-17/h4-6,8-13,22H,2-3,7,14-15H2,1H3,(H,21,24)(H,23,25).
What are the key properties of N-[[4-[(pentylamino)carbamoyl]phenyl]methyl]benzamide?
N-[[4-[(pentylamino)carbamoyl]phenyl]methyl]benzamide has a molecular weight of 339.44 g/mol, XLogP of 3.04, 9 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[(pentylamino)carbamoyl]phenyl]methyl]benzamide is sourced from PubChem (CID 139558699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).