N-cyclopentyl-N-methyl-4-phenylbenzamide;4-cyclopropyl-2H-triazole

C24H28N4O — CID 154653071

IUPACN-cyclopentyl-N-methyl-4-phenylbenzamide;4-cyclopropyl-2H-triazole
SMILESCN(C(=O)c1ccc(-c2ccccc2)cc1)C1CCCC1.c1n[nH]nc1C1CC1
InChIInChI=1S/C19H21NO.C5H7N3/c1-20(18-9-5-6-10-18)19(21)17-13-11-16(12-14-17)15-7-3-2-4-8-15;1-2-4(1)5-3-6-8-7-5/h2-4,7-8,11-14,18H,5-6,9-10H2,1H3;3-4H,1-2H2,(H,6,7,8)
InChIKeyYOJJALQICDOTRO-UHFFFAOYSA-N
MW388.51 g/mol
LogP5.05
Rot. Bonds4

About N-cyclopentyl-N-methyl-4-phenylbenzamide;4-cyclopropyl-2H-triazole

N-cyclopentyl-N-methyl-4-phenylbenzamide;4-cyclopropyl-2H-triazole (PubChem CID 154653071) has the molecular formula C24H28N4O and a molecular weight of 388.51 g/mol. Its IUPAC name is N-cyclopentyl-N-methyl-4-phenylbenzamide;4-cyclopropyl-2H-triazole.

Molecular Properties

Compound NameN-cyclopentyl-N-methyl-4-phenylbenzamide;4-cyclopropyl-2H-triazole
PubChem CID154653071
Molecular FormulaC24H28N4O
Molecular Weight388.51 g/mol
Exact Mass388.23
IUPAC NameN-cyclopentyl-N-methyl-4-phenylbenzamide;4-cyclopropyl-2H-triazole
SMILESCN(C(=O)c1ccc(-c2ccccc2)cc1)C1CCCC1.c1n[nH]nc1C1CC1
InChIInChI=1S/C19H21NO.C5H7N3/c1-20(18-9-5-6-10-18)19(21)17-13-11-16(12-14-17)15-7-3-2-4-8-15;1-2-4(1)5-3-6-8-7-5/h2-4,7-8,11-14,18H,5-6,9-10H2,1H3;3-4H,1-2H2,(H,6,7,8)
InChIKeyYOJJALQICDOTRO-UHFFFAOYSA-N
XLogP5.05
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.51
LogP ≤ 55.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-N-methyl-4-phenylbenzamide;4-cyclopropyl-2H-triazole?
The IUPAC name of N-cyclopentyl-N-methyl-4-phenylbenzamide;4-cyclopropyl-2H-triazole (CID 154653071) is N-cyclopentyl-N-methyl-4-phenylbenzamide;4-cyclopropyl-2H-triazole.
What is the SMILES notation for N-cyclopentyl-N-methyl-4-phenylbenzamide;4-cyclopropyl-2H-triazole?
The canonical SMILES for N-cyclopentyl-N-methyl-4-phenylbenzamide;4-cyclopropyl-2H-triazole is CN(C(=O)c1ccc(-c2ccccc2)cc1)C1CCCC1.c1n[nH]nc1C1CC1.
What is the InChIKey of N-cyclopentyl-N-methyl-4-phenylbenzamide;4-cyclopropyl-2H-triazole?
The InChIKey is YOJJALQICDOTRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO.C5H7N3/c1-20(18-9-5-6-10-18)19(21)17-13-11-16(12-14-17)15-7-3-2-4-8-15;1-2-4(1)5-3-6-8-7-5/h2-4,7-8,11-14,18H,5-6,9-10H2,1H3;3-4H,1-2H2,(H,6,7,8).
What are the key properties of N-cyclopentyl-N-methyl-4-phenylbenzamide;4-cyclopropyl-2H-triazole?
N-cyclopentyl-N-methyl-4-phenylbenzamide;4-cyclopropyl-2H-triazole has a molecular weight of 388.51 g/mol, XLogP of 5.05, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-N-methyl-4-phenylbenzamide;4-cyclopropyl-2H-triazole is sourced from PubChem (CID 154653071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).