N-ethyl-3-[[2-[[(1R)-1-(1-methyltetrazol-5-yl)ethyl]amino]acetyl]amino]benzamide

C15H21N7O2 — CID 124844498

IUPACN-ethyl-3-[[2-[[(1R)-1-(1-methyltetrazol-5-yl)ethyl]amino]acetyl]amino]benzamide
SMILESCCNC(=O)c1cccc(NC(=O)CN[C@H](C)c2nnnn2C)c1
InChIInChI=1S/C15H21N7O2/c1-4-16-15(24)11-6-5-7-12(8-11)18-13(23)9-17-10(2)14-19-20-21-22(14)3/h5-8,10,17H,4,9H2,1-3H3,(H,16,24)(H,18,23)/t10-/m1/s1
InChIKeyGKMLWMIEDQITMY-SNVBAGLBSA-N
MW331.38 g/mol
LogP0.25
Rot. Bonds7

About N-ethyl-3-[[2-[[(1R)-1-(1-methyltetrazol-5-yl)ethyl]amino]acetyl]amino]benzamide

N-ethyl-3-[[2-[[(1R)-1-(1-methyltetrazol-5-yl)ethyl]amino]acetyl]amino]benzamide (PubChem CID 124844498) has the molecular formula C15H21N7O2 and a molecular weight of 331.38 g/mol. Its IUPAC name is N-ethyl-3-[[2-[[(1R)-1-(1-methyltetrazol-5-yl)ethyl]amino]acetyl]amino]benzamide.

Molecular Properties

Compound NameN-ethyl-3-[[2-[[(1R)-1-(1-methyltetrazol-5-yl)ethyl]amino]acetyl]amino]benzamide
PubChem CID124844498
Molecular FormulaC15H21N7O2
Molecular Weight331.38 g/mol
Exact Mass331.18
IUPAC NameN-ethyl-3-[[2-[[(1R)-1-(1-methyltetrazol-5-yl)ethyl]amino]acetyl]amino]benzamide
SMILESCCNC(=O)c1cccc(NC(=O)CN[C@H](C)c2nnnn2C)c1
InChIInChI=1S/C15H21N7O2/c1-4-16-15(24)11-6-5-7-12(8-11)18-13(23)9-17-10(2)14-19-20-21-22(14)3/h5-8,10,17H,4,9H2,1-3H3,(H,16,24)(H,18,23)/t10-/m1/s1
InChIKeyGKMLWMIEDQITMY-SNVBAGLBSA-N
XLogP0.25
TPSA113.83 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.38
LogP ≤ 50.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

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CID 8923917
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CID 78912963
N-[2-[3-(ethylcarbamoyl)anilino]-2-oxoethyl]-3,5-dimethylbenzamide
CID 51220151
N-tert-butyl-3-[[2-[3-(ethylcarbamoyl)anilino]-2-oxoethyl]amino]benzamide
CID 54844494
N-ethyl-3-[[2-oxo-2-[3-(1-phenylethylcarbamoyl)anilino]ethyl]amino]benzamide
CID 54837990
3-acetamido-N-ethylbenzamide
CID 17230670
4-[[2-[3-(ethylcarbamoyl)anilino]-2-oxoethyl]amino]-3-methyl-N-propan-2-ylbenzamide
CID 60561506
3-[[2-(propan-2-ylamino)acetyl]amino]benzamide
CID 54817579
3-[[2-[3-(diethylcarbamoyl)anilino]-2-oxoethyl]amino]-N-ethylbenzamide
CID 54837721
N-butan-2-yl-3-[[2-(1-phenylethylamino)acetyl]amino]benzamide
CID 54814951
N-ethyl-3-(2-methylpropylcarbamoylamino)benzamide
CID 47200674
N-butyl-3-[[2-(ethylamino)acetyl]amino]benzamide
CID 54820705

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-[[2-[[(1R)-1-(1-methyltetrazol-5-yl)ethyl]amino]acetyl]amino]benzamide?
The IUPAC name of N-ethyl-3-[[2-[[(1R)-1-(1-methyltetrazol-5-yl)ethyl]amino]acetyl]amino]benzamide (CID 124844498) is N-ethyl-3-[[2-[[(1R)-1-(1-methyltetrazol-5-yl)ethyl]amino]acetyl]amino]benzamide.
What is the SMILES notation for N-ethyl-3-[[2-[[(1R)-1-(1-methyltetrazol-5-yl)ethyl]amino]acetyl]amino]benzamide?
The canonical SMILES for N-ethyl-3-[[2-[[(1R)-1-(1-methyltetrazol-5-yl)ethyl]amino]acetyl]amino]benzamide is CCNC(=O)c1cccc(NC(=O)CN[C@H](C)c2nnnn2C)c1.
What is the InChIKey of N-ethyl-3-[[2-[[(1R)-1-(1-methyltetrazol-5-yl)ethyl]amino]acetyl]amino]benzamide?
The InChIKey is GKMLWMIEDQITMY-SNVBAGLBSA-N. The full InChI is InChI=1S/C15H21N7O2/c1-4-16-15(24)11-6-5-7-12(8-11)18-13(23)9-17-10(2)14-19-20-21-22(14)3/h5-8,10,17H,4,9H2,1-3H3,(H,16,24)(H,18,23)/t10-/m1/s1.
What are the key properties of N-ethyl-3-[[2-[[(1R)-1-(1-methyltetrazol-5-yl)ethyl]amino]acetyl]amino]benzamide?
N-ethyl-3-[[2-[[(1R)-1-(1-methyltetrazol-5-yl)ethyl]amino]acetyl]amino]benzamide has a molecular weight of 331.38 g/mol, XLogP of 0.25, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-[[2-[[(1R)-1-(1-methyltetrazol-5-yl)ethyl]amino]acetyl]amino]benzamide is sourced from PubChem (CID 124844498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).