N-cyclopropyl-1-[4-(3-phenylpropylcarbamoyl)phenyl]-5-propyltriazole-4-carboxamide

C25H29N5O2 — CID 68519299

IUPACN-cyclopropyl-1-[4-(3-phenylpropylcarbamoyl)phenyl]-5-propyltriazole-4-carboxamide
SMILESCCCc1c(C(=O)NC2CC2)nnn1-c1ccc(C(=O)NCCCc2ccccc2)cc1
InChIInChI=1S/C25H29N5O2/c1-2-7-22-23(25(32)27-20-13-14-20)28-29-30(22)21-15-11-19(12-16-21)24(31)26-17-6-10-18-8-4-3-5-9-18/h3-5,8-9,11-12,15-16,20H,2,6-7,10,13-14,17H2,1H3,(H,26,31)(H,27,32)
InChIKeyMEZIAWWIKHEHKB-UHFFFAOYSA-N
MW431.54 g/mol
LogP3.47
Rot. Bonds10

About N-cyclopropyl-1-[4-(3-phenylpropylcarbamoyl)phenyl]-5-propyltriazole-4-carboxamide

N-cyclopropyl-1-[4-(3-phenylpropylcarbamoyl)phenyl]-5-propyltriazole-4-carboxamide (PubChem CID 68519299) has the molecular formula C25H29N5O2 and a molecular weight of 431.54 g/mol. Its IUPAC name is N-cyclopropyl-1-[4-(3-phenylpropylcarbamoyl)phenyl]-5-propyltriazole-4-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-1-[4-(3-phenylpropylcarbamoyl)phenyl]-5-propyltriazole-4-carboxamide
PubChem CID68519299
Molecular FormulaC25H29N5O2
Molecular Weight431.54 g/mol
Exact Mass431.23
IUPAC NameN-cyclopropyl-1-[4-(3-phenylpropylcarbamoyl)phenyl]-5-propyltriazole-4-carboxamide
SMILESCCCc1c(C(=O)NC2CC2)nnn1-c1ccc(C(=O)NCCCc2ccccc2)cc1
InChIInChI=1S/C25H29N5O2/c1-2-7-22-23(25(32)27-20-13-14-20)28-29-30(22)21-15-11-19(12-16-21)24(31)26-17-6-10-18-8-4-3-5-9-18/h3-5,8-9,11-12,15-16,20H,2,6-7,10,13-14,17H2,1H3,(H,26,31)(H,27,32)
InChIKeyMEZIAWWIKHEHKB-UHFFFAOYSA-N
XLogP3.47
TPSA88.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.54
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-cyclopropyl-1-[4-(cyclopropylcarbamoyl)phenyl]-5-propyltriazole-4-carboxamide
CID 68513644
N-cyclopropyl-5-propyl-1-[4-[(2,2,2-trifluoroacetyl)amino]phenyl]triazole-4-carboxamide
CID 86629791
4-[[1-(4-tert-butylphenyl)-5-propyltriazole-4-carbonyl]amino]butanoic acid
CID 119352643
N-cyclopropyl-1-[4-(ethylcarbamoyl)-2-propoxyphenyl]-5-propyltriazole-4-carboxamide
CID 68516322
2-[[1-(4-tert-butylphenyl)-5-propyltriazole-4-carbonyl]amino]acetic acid
CID 119350150
1-(4-methoxyphenyl)-N,5-dipropyltriazole-4-carboxamide
CID 17015604
N-(1-benzylpiperidin-4-yl)-5-(phenylmethoxymethyl)-1-[4-(2,2,2-trifluoroethylcarbamoyl)phenyl]triazole-4-carboxamide
CID 87800566
N-cyclopropyl-1-[4-(ethylcarbamoyl)phenyl]-5-[[2-(iodomethyl)-3-(trifluoromethyl)phenoxy]methyl]triazole-4-carboxamide
CID 89311644
ethyl 5-amino-1-[4-(3-phenylpropylcarbamoyl)phenyl]pyrazole-4-carboxylate
CID 46363360
N-(2-fluorophenyl)-1-phenyl-5-propyltriazole-4-carboxamide
CID 17015504
1-[4-(ethylcarbamoyl)phenyl]-N-[2-(3-fluorophenyl)ethyl]-5-(methylsulfanylmethyl)triazole-4-carboxamide
CID 69370914
4-(cyclopropylcarbamoylamino)-N-(2-phenylethyl)benzamide
CID 39884786

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-1-[4-(3-phenylpropylcarbamoyl)phenyl]-5-propyltriazole-4-carboxamide?
The IUPAC name of N-cyclopropyl-1-[4-(3-phenylpropylcarbamoyl)phenyl]-5-propyltriazole-4-carboxamide (CID 68519299) is N-cyclopropyl-1-[4-(3-phenylpropylcarbamoyl)phenyl]-5-propyltriazole-4-carboxamide.
What is the SMILES notation for N-cyclopropyl-1-[4-(3-phenylpropylcarbamoyl)phenyl]-5-propyltriazole-4-carboxamide?
The canonical SMILES for N-cyclopropyl-1-[4-(3-phenylpropylcarbamoyl)phenyl]-5-propyltriazole-4-carboxamide is CCCc1c(C(=O)NC2CC2)nnn1-c1ccc(C(=O)NCCCc2ccccc2)cc1.
What is the InChIKey of N-cyclopropyl-1-[4-(3-phenylpropylcarbamoyl)phenyl]-5-propyltriazole-4-carboxamide?
The InChIKey is MEZIAWWIKHEHKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N5O2/c1-2-7-22-23(25(32)27-20-13-14-20)28-29-30(22)21-15-11-19(12-16-21)24(31)26-17-6-10-18-8-4-3-5-9-18/h3-5,8-9,11-12,15-16,20H,2,6-7,10,13-14,17H2,1H3,(H,26,31)(H,27,32).
What are the key properties of N-cyclopropyl-1-[4-(3-phenylpropylcarbamoyl)phenyl]-5-propyltriazole-4-carboxamide?
N-cyclopropyl-1-[4-(3-phenylpropylcarbamoyl)phenyl]-5-propyltriazole-4-carboxamide has a molecular weight of 431.54 g/mol, XLogP of 3.47, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-1-[4-(3-phenylpropylcarbamoyl)phenyl]-5-propyltriazole-4-carboxamide is sourced from PubChem (CID 68519299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).