N-cyclopropyl-1-[4-(ethylcarbamoyl)-2-propoxyphenyl]-5-propyltriazole-4-carboxamide

C21H29N5O3 — CID 68516322

IUPACN-cyclopropyl-1-[4-(ethylcarbamoyl)-2-propoxyphenyl]-5-propyltriazole-4-carboxamide
SMILESCCCOc1cc(C(=O)NCC)ccc1-n1nnc(C(=O)NC2CC2)c1CCC
InChIInChI=1S/C21H29N5O3/c1-4-7-17-19(21(28)23-15-9-10-15)24-25-26(17)16-11-8-14(20(27)22-6-3)13-18(16)29-12-5-2/h8,11,13,15H,4-7,9-10,12H2,1-3H3,(H,22,27)(H,23,28)
InChIKeyMCGBJJJBNWFEDV-UHFFFAOYSA-N
MW399.50 g/mol
LogP2.65
Rot. Bonds10

About N-cyclopropyl-1-[4-(ethylcarbamoyl)-2-propoxyphenyl]-5-propyltriazole-4-carboxamide

N-cyclopropyl-1-[4-(ethylcarbamoyl)-2-propoxyphenyl]-5-propyltriazole-4-carboxamide (PubChem CID 68516322) has the molecular formula C21H29N5O3 and a molecular weight of 399.50 g/mol. Its IUPAC name is N-cyclopropyl-1-[4-(ethylcarbamoyl)-2-propoxyphenyl]-5-propyltriazole-4-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-1-[4-(ethylcarbamoyl)-2-propoxyphenyl]-5-propyltriazole-4-carboxamide
PubChem CID68516322
Molecular FormulaC21H29N5O3
Molecular Weight399.50 g/mol
Exact Mass399.23
IUPAC NameN-cyclopropyl-1-[4-(ethylcarbamoyl)-2-propoxyphenyl]-5-propyltriazole-4-carboxamide
SMILESCCCOc1cc(C(=O)NCC)ccc1-n1nnc(C(=O)NC2CC2)c1CCC
InChIInChI=1S/C21H29N5O3/c1-4-7-17-19(21(28)23-15-9-10-15)24-25-26(17)16-11-8-14(20(27)22-6-3)13-18(16)29-12-5-2/h8,11,13,15H,4-7,9-10,12H2,1-3H3,(H,22,27)(H,23,28)
InChIKeyMCGBJJJBNWFEDV-UHFFFAOYSA-N
XLogP2.65
TPSA98.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.50
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-cyclopropyl-1-[4-(cyclopropylcarbamoyl)phenyl]-5-propyltriazole-4-carboxamide
CID 68513644
N-cyclopropyl-1-[4-(3-phenylpropylcarbamoyl)phenyl]-5-propyltriazole-4-carboxamide
CID 68519299
N-cyclopropyl-5-propyl-1-[4-[(2,2,2-trifluoroacetyl)amino]phenyl]triazole-4-carboxamide
CID 86629791
N-(4-aminocyclohexyl)-1-(3-chlorophenyl)-5-propyltriazole-4-carboxamide;hydrochloride
CID 119476108
1-[4-(ethylcarbamoyl)-2-phenylmethoxyphenyl]-5-methyltriazole-4-carboxylic acid
CID 68515237
3-bromo-N-cyclohexyl-4-propoxybenzamide
CID 17342733
N-cyclopropyl-1-[4-(ethylcarbamoyl)phenyl]-5-[[2-(iodomethyl)-3-(trifluoromethyl)phenoxy]methyl]triazole-4-carboxamide
CID 89311644
N-(4-aminocyclohexyl)-3-ethoxy-4-propoxybenzamide
CID 119477535
N-cyclopropyl-1-[4-(ethylcarbamoyl)phenyl]-5-[2-(1-methylpyrazol-4-yl)ethenyl]triazole-4-carboxamide
CID 68515179
N-cyclopropyl-1-[4-(ethylcarbamoyl)phenyl]triazole-4-carboxamide
CID 68514420
1-(3-chlorophenyl)-N-piperidin-3-yl-5-propyltriazole-4-carboxamide
CID 119426032
N-[2-(cyclopropylcarbamoyl)phenyl]-3,4-dipropoxybenzamide
CID 34282702

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-1-[4-(ethylcarbamoyl)-2-propoxyphenyl]-5-propyltriazole-4-carboxamide?
The IUPAC name of N-cyclopropyl-1-[4-(ethylcarbamoyl)-2-propoxyphenyl]-5-propyltriazole-4-carboxamide (CID 68516322) is N-cyclopropyl-1-[4-(ethylcarbamoyl)-2-propoxyphenyl]-5-propyltriazole-4-carboxamide.
What is the SMILES notation for N-cyclopropyl-1-[4-(ethylcarbamoyl)-2-propoxyphenyl]-5-propyltriazole-4-carboxamide?
The canonical SMILES for N-cyclopropyl-1-[4-(ethylcarbamoyl)-2-propoxyphenyl]-5-propyltriazole-4-carboxamide is CCCOc1cc(C(=O)NCC)ccc1-n1nnc(C(=O)NC2CC2)c1CCC.
What is the InChIKey of N-cyclopropyl-1-[4-(ethylcarbamoyl)-2-propoxyphenyl]-5-propyltriazole-4-carboxamide?
The InChIKey is MCGBJJJBNWFEDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N5O3/c1-4-7-17-19(21(28)23-15-9-10-15)24-25-26(17)16-11-8-14(20(27)22-6-3)13-18(16)29-12-5-2/h8,11,13,15H,4-7,9-10,12H2,1-3H3,(H,22,27)(H,23,28).
What are the key properties of N-cyclopropyl-1-[4-(ethylcarbamoyl)-2-propoxyphenyl]-5-propyltriazole-4-carboxamide?
N-cyclopropyl-1-[4-(ethylcarbamoyl)-2-propoxyphenyl]-5-propyltriazole-4-carboxamide has a molecular weight of 399.50 g/mol, XLogP of 2.65, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-1-[4-(ethylcarbamoyl)-2-propoxyphenyl]-5-propyltriazole-4-carboxamide is sourced from PubChem (CID 68516322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).