N,N-diethyl-1-[2-(phenylcarbamoylamino)ethyl]benzotriazole-5-carboxamide

C20H24N6O2 — CID 53121059

IUPACN,N-diethyl-1-[2-(phenylcarbamoylamino)ethyl]benzotriazole-5-carboxamide
SMILESCCN(CC)C(=O)c1ccc2c(c1)nnn2CCNC(=O)Nc1ccccc1
InChIInChI=1S/C20H24N6O2/c1-3-25(4-2)19(27)15-10-11-18-17(14-15)23-24-26(18)13-12-21-20(28)22-16-8-6-5-7-9-16/h5-11,14H,3-4,12-13H2,1-2H3,(H2,21,22,28)
InChIKeyHMSFOYILSGVMAF-UHFFFAOYSA-N
MW380.45 g/mol
LogP2.73
Rot. Bonds7

About N,N-diethyl-1-[2-(phenylcarbamoylamino)ethyl]benzotriazole-5-carboxamide

N,N-diethyl-1-[2-(phenylcarbamoylamino)ethyl]benzotriazole-5-carboxamide (PubChem CID 53121059) has the molecular formula C20H24N6O2 and a molecular weight of 380.45 g/mol. Its IUPAC name is N,N-diethyl-1-[2-(phenylcarbamoylamino)ethyl]benzotriazole-5-carboxamide.

Molecular Properties

Compound NameN,N-diethyl-1-[2-(phenylcarbamoylamino)ethyl]benzotriazole-5-carboxamide
PubChem CID53121059
Molecular FormulaC20H24N6O2
Molecular Weight380.45 g/mol
Exact Mass380.20
IUPAC NameN,N-diethyl-1-[2-(phenylcarbamoylamino)ethyl]benzotriazole-5-carboxamide
SMILESCCN(CC)C(=O)c1ccc2c(c1)nnn2CCNC(=O)Nc1ccccc1
InChIInChI=1S/C20H24N6O2/c1-3-25(4-2)19(27)15-10-11-18-17(14-15)23-24-26(18)13-12-21-20(28)22-16-8-6-5-7-9-16/h5-11,14H,3-4,12-13H2,1-2H3,(H2,21,22,28)
InChIKeyHMSFOYILSGVMAF-UHFFFAOYSA-N
XLogP2.73
TPSA92.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.45
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-(phenylcarbamoylamino)ethyl]-N-propan-2-ylbenzotriazole-5-carboxamide
CID 53121084
ethyl 4-[2-[5-(propan-2-ylcarbamoyl)benzotriazol-1-yl]ethylcarbamoylamino]benzoate
CID 53121107
1-[2-[(4-bromophenyl)carbamoylamino]ethyl]-N-propan-2-ylbenzotriazole-5-carboxamide
CID 53121111
1-[2-[(4-bromophenyl)carbamoylamino]ethyl]-N,N-diethylbenzimidazole-5-carboxamide
CID 20974969
1-(3-bromophenyl)-3-[2-[5-(diethylsulfamoyl)benzotriazol-1-yl]ethyl]urea
CID 53110953
methyl 3-[2-[5-(propan-2-ylcarbamoyl)benzotriazol-1-yl]ethylcarbamoylamino]benzoate
CID 53121135
N-cyclopentyl-1-[2-[(3,5-dimethylphenyl)carbamoylamino]ethyl]benzotriazole-5-carboxamide
CID 53121155
N-cyclopentyl-1-[2-[(4-methoxyphenyl)carbamoylamino]ethyl]benzotriazole-5-carboxamide
CID 53121165
2-[ethyl-(1-methylbenzotriazole-5-carbonyl)amino]acetic acid
CID 119205740
1-[2-[(4-fluorophenyl)methylcarbamoylamino]ethyl]-N,N-dimethylbenzotriazole-5-carboxamide
CID 53121048
1-(4-bromo-3-methylphenyl)-3-[2-[5-(pyrrolidine-1-carbonyl)benzotriazol-1-yl]ethyl]urea
CID 53120969
N,N-diethyl-3-(propylcarbamoylamino)benzamide
CID 47103496

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-1-[2-(phenylcarbamoylamino)ethyl]benzotriazole-5-carboxamide?
The IUPAC name of N,N-diethyl-1-[2-(phenylcarbamoylamino)ethyl]benzotriazole-5-carboxamide (CID 53121059) is N,N-diethyl-1-[2-(phenylcarbamoylamino)ethyl]benzotriazole-5-carboxamide.
What is the SMILES notation for N,N-diethyl-1-[2-(phenylcarbamoylamino)ethyl]benzotriazole-5-carboxamide?
The canonical SMILES for N,N-diethyl-1-[2-(phenylcarbamoylamino)ethyl]benzotriazole-5-carboxamide is CCN(CC)C(=O)c1ccc2c(c1)nnn2CCNC(=O)Nc1ccccc1.
What is the InChIKey of N,N-diethyl-1-[2-(phenylcarbamoylamino)ethyl]benzotriazole-5-carboxamide?
The InChIKey is HMSFOYILSGVMAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N6O2/c1-3-25(4-2)19(27)15-10-11-18-17(14-15)23-24-26(18)13-12-21-20(28)22-16-8-6-5-7-9-16/h5-11,14H,3-4,12-13H2,1-2H3,(H2,21,22,28).
What are the key properties of N,N-diethyl-1-[2-(phenylcarbamoylamino)ethyl]benzotriazole-5-carboxamide?
N,N-diethyl-1-[2-(phenylcarbamoylamino)ethyl]benzotriazole-5-carboxamide has a molecular weight of 380.45 g/mol, XLogP of 2.73, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-1-[2-(phenylcarbamoylamino)ethyl]benzotriazole-5-carboxamide is sourced from PubChem (CID 53121059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).