N-carbamoyl-2-[3-(1-cyclopropyltetrazol-5-yl)anilino]acetamide

C13H15N7O2 — CID 25332248

IUPACN-carbamoyl-2-[3-(1-cyclopropyltetrazol-5-yl)anilino]acetamide
SMILESNC(=O)NC(=O)CNc1cccc(-c2nnnn2C2CC2)c1
InChIInChI=1S/C13H15N7O2/c14-13(22)16-11(21)7-15-9-3-1-2-8(6-9)12-17-18-19-20(12)10-4-5-10/h1-3,6,10,15H,4-5,7H2,(H3,14,16,21,22)
InChIKeyOIUNLOMMEGJSRT-UHFFFAOYSA-N
MW301.31 g/mol
LogP0.28
Rot. Bonds5

About N-carbamoyl-2-[3-(1-cyclopropyltetrazol-5-yl)anilino]acetamide

N-carbamoyl-2-[3-(1-cyclopropyltetrazol-5-yl)anilino]acetamide (PubChem CID 25332248) has the molecular formula C13H15N7O2 and a molecular weight of 301.31 g/mol. Its IUPAC name is N-carbamoyl-2-[3-(1-cyclopropyltetrazol-5-yl)anilino]acetamide.

Molecular Properties

Compound NameN-carbamoyl-2-[3-(1-cyclopropyltetrazol-5-yl)anilino]acetamide
PubChem CID25332248
Molecular FormulaC13H15N7O2
Molecular Weight301.31 g/mol
Exact Mass301.13
IUPAC NameN-carbamoyl-2-[3-(1-cyclopropyltetrazol-5-yl)anilino]acetamide
SMILESNC(=O)NC(=O)CNc1cccc(-c2nnnn2C2CC2)c1
InChIInChI=1S/C13H15N7O2/c14-13(22)16-11(21)7-15-9-3-1-2-8(6-9)12-17-18-19-20(12)10-4-5-10/h1-3,6,10,15H,4-5,7H2,(H3,14,16,21,22)
InChIKeyOIUNLOMMEGJSRT-UHFFFAOYSA-N
XLogP0.28
TPSA127.82 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.31
LogP ≤ 50.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

2-amino-N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]acetamide;hydrochloride
CID 119276593
2-[3-(1-cyclopropyltetrazol-5-yl)anilino]-N-(4-methoxyphenyl)acetamide
CID 134020154
3-[3-(1-cyclopropyltetrazol-5-yl)anilino]-3-oxopropanoic acid
CID 62232063
2-[3-(1-cyclopropyltetrazol-5-yl)anilino]-1-(3-methylpiperidin-1-yl)ethanone
CID 134020158
N-(2-cyano-3-methylbutan-2-yl)-2-[3-(1-cyclopropyltetrazol-5-yl)anilino]acetamide
CID 55560373
N-[2-(cyclohexen-1-yl)ethyl]-2-[3-(1-cyclopropyltetrazol-5-yl)anilino]acetamide
CID 134020165
2-[3-(1-cyclopropyltetrazol-5-yl)anilino]-N-(2-methyl-4-nitrophenyl)acetamide
CID 55560646
2-amino-N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-2-methylpropanamide
CID 61265856
2-[3-(1-cyclopropyltetrazol-5-yl)anilino]-N-phenyl-N-propan-2-ylacetamide
CID 25332004
2-[3-(1-cyclopropyltetrazol-5-yl)anilino]-N-(2,5-diethoxyphenyl)acetamide
CID 55565798
N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-4-methylpentanamide
CID 30047811
4-chloro-N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]butanamide
CID 63309384

Frequently Asked Questions

What is the IUPAC name of N-carbamoyl-2-[3-(1-cyclopropyltetrazol-5-yl)anilino]acetamide?
The IUPAC name of N-carbamoyl-2-[3-(1-cyclopropyltetrazol-5-yl)anilino]acetamide (CID 25332248) is N-carbamoyl-2-[3-(1-cyclopropyltetrazol-5-yl)anilino]acetamide.
What is the SMILES notation for N-carbamoyl-2-[3-(1-cyclopropyltetrazol-5-yl)anilino]acetamide?
The canonical SMILES for N-carbamoyl-2-[3-(1-cyclopropyltetrazol-5-yl)anilino]acetamide is NC(=O)NC(=O)CNc1cccc(-c2nnnn2C2CC2)c1.
What is the InChIKey of N-carbamoyl-2-[3-(1-cyclopropyltetrazol-5-yl)anilino]acetamide?
The InChIKey is OIUNLOMMEGJSRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N7O2/c14-13(22)16-11(21)7-15-9-3-1-2-8(6-9)12-17-18-19-20(12)10-4-5-10/h1-3,6,10,15H,4-5,7H2,(H3,14,16,21,22).
What are the key properties of N-carbamoyl-2-[3-(1-cyclopropyltetrazol-5-yl)anilino]acetamide?
N-carbamoyl-2-[3-(1-cyclopropyltetrazol-5-yl)anilino]acetamide has a molecular weight of 301.31 g/mol, XLogP of 0.28, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-carbamoyl-2-[3-(1-cyclopropyltetrazol-5-yl)anilino]acetamide is sourced from PubChem (CID 25332248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).