N-[2-[[(2S)-butan-2-yl]carbamoyl]phenyl]-1-ethylbenzotriazole-5-carboxamide

C20H23N5O2 — CID 39996053

IUPACN-[2-[[(2S)-butan-2-yl]carbamoyl]phenyl]-1-ethylbenzotriazole-5-carboxamide
SMILESCC[C@H](C)NC(=O)c1ccccc1NC(=O)c1ccc2c(c1)nnn2CC
InChIInChI=1S/C20H23N5O2/c1-4-13(3)21-20(27)15-8-6-7-9-16(15)22-19(26)14-10-11-18-17(12-14)23-24-25(18)5-2/h6-13H,4-5H2,1-3H3,(H,21,27)(H,22,26)/t13-/m0/s1
InChIKeyYCKWWHFAOOICPL-ZDUSSCGKSA-N
MW365.44 g/mol
LogP3.23
Rot. Bonds6

About N-[2-[[(2S)-butan-2-yl]carbamoyl]phenyl]-1-ethylbenzotriazole-5-carboxamide

N-[2-[[(2S)-butan-2-yl]carbamoyl]phenyl]-1-ethylbenzotriazole-5-carboxamide (PubChem CID 39996053) has the molecular formula C20H23N5O2 and a molecular weight of 365.44 g/mol. Its IUPAC name is N-[2-[[(2S)-butan-2-yl]carbamoyl]phenyl]-1-ethylbenzotriazole-5-carboxamide.

Molecular Properties

Compound NameN-[2-[[(2S)-butan-2-yl]carbamoyl]phenyl]-1-ethylbenzotriazole-5-carboxamide
PubChem CID39996053
Molecular FormulaC20H23N5O2
Molecular Weight365.44 g/mol
Exact Mass365.19
IUPAC NameN-[2-[[(2S)-butan-2-yl]carbamoyl]phenyl]-1-ethylbenzotriazole-5-carboxamide
SMILESCC[C@H](C)NC(=O)c1ccccc1NC(=O)c1ccc2c(c1)nnn2CC
InChIInChI=1S/C20H23N5O2/c1-4-13(3)21-20(27)15-8-6-7-9-16(15)22-19(26)14-10-11-18-17(12-14)23-24-25(18)5-2/h6-13H,4-5H2,1-3H3,(H,21,27)(H,22,26)/t13-/m0/s1
InChIKeyYCKWWHFAOOICPL-ZDUSSCGKSA-N
XLogP3.23
TPSA88.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.44
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-[[(2R)-butan-2-yl]carbamoyl]phenyl]-1-ethylbenzotriazole-5-carboxamide
CID 39996052
N-(2-carbamoylphenyl)-1-ethylbenzotriazole-5-carboxamide
CID 51208716
1-ethyl-N-[2-(prop-2-enylcarbamoyl)phenyl]benzotriazole-5-carboxamide
CID 18155904
1-ethyl-N-(2-ethylphenyl)benzotriazole-5-carboxamide
CID 8839386
1-ethyl-N-(2-phenylphenyl)benzotriazole-5-carboxamide
CID 26727322
1-ethyl-N-[2-(trifluoromethoxy)phenyl]benzotriazole-5-carboxamide
CID 27298510
N-butan-2-yl-2-[(4-methylbenzoyl)amino]benzamide
CID 2942993
N-[(2R)-butan-2-yl]-2-[(4-methylbenzoyl)amino]benzamide
CID 893770
N-butan-2-yl-2-[(4-fluorobenzoyl)amino]benzamide
CID 2943228
1-ethyl-N-[3-(propan-2-ylcarbamoylamino)phenyl]benzotriazole-5-carboxamide
CID 31886468
1-ethyl-N-[2-(2,2,2-trifluoroethoxy)phenyl]benzotriazole-5-carboxamide
CID 41369673
1-ethyl-N-[2-(4-methoxyanilino)phenyl]benzotriazole-5-carboxamide
CID 8013290

Frequently Asked Questions

What is the IUPAC name of N-[2-[[(2S)-butan-2-yl]carbamoyl]phenyl]-1-ethylbenzotriazole-5-carboxamide?
The IUPAC name of N-[2-[[(2S)-butan-2-yl]carbamoyl]phenyl]-1-ethylbenzotriazole-5-carboxamide (CID 39996053) is N-[2-[[(2S)-butan-2-yl]carbamoyl]phenyl]-1-ethylbenzotriazole-5-carboxamide.
What is the SMILES notation for N-[2-[[(2S)-butan-2-yl]carbamoyl]phenyl]-1-ethylbenzotriazole-5-carboxamide?
The canonical SMILES for N-[2-[[(2S)-butan-2-yl]carbamoyl]phenyl]-1-ethylbenzotriazole-5-carboxamide is CC[C@H](C)NC(=O)c1ccccc1NC(=O)c1ccc2c(c1)nnn2CC.
What is the InChIKey of N-[2-[[(2S)-butan-2-yl]carbamoyl]phenyl]-1-ethylbenzotriazole-5-carboxamide?
The InChIKey is YCKWWHFAOOICPL-ZDUSSCGKSA-N. The full InChI is InChI=1S/C20H23N5O2/c1-4-13(3)21-20(27)15-8-6-7-9-16(15)22-19(26)14-10-11-18-17(12-14)23-24-25(18)5-2/h6-13H,4-5H2,1-3H3,(H,21,27)(H,22,26)/t13-/m0/s1.
What are the key properties of N-[2-[[(2S)-butan-2-yl]carbamoyl]phenyl]-1-ethylbenzotriazole-5-carboxamide?
N-[2-[[(2S)-butan-2-yl]carbamoyl]phenyl]-1-ethylbenzotriazole-5-carboxamide has a molecular weight of 365.44 g/mol, XLogP of 3.23, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[(2S)-butan-2-yl]carbamoyl]phenyl]-1-ethylbenzotriazole-5-carboxamide is sourced from PubChem (CID 39996053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).