4-[2-[2-[[(1S)-1-cyclopropylethyl]amino]-2-oxoethyl]tetrazol-5-yl]benzamide

C15H18N6O2 — CID 8996563

IUPAC4-[2-[2-[[(1S)-1-cyclopropylethyl]amino]-2-oxoethyl]tetrazol-5-yl]benzamide
SMILESC[C@H](NC(=O)Cn1nnc(-c2ccc(C(N)=O)cc2)n1)C1CC1
InChIInChI=1S/C15H18N6O2/c1-9(10-2-3-10)17-13(22)8-21-19-15(18-20-21)12-6-4-11(5-7-12)14(16)23/h4-7,9-10H,2-3,8H2,1H3,(H2,16,23)(H,17,22)/t9-/m0/s1
InChIKeyHZHKUDDUCVAJMB-VIFPVBQESA-N
MW314.35 g/mol
LogP0.35
Rot. Bonds6

About 4-[2-[2-[[(1S)-1-cyclopropylethyl]amino]-2-oxoethyl]tetrazol-5-yl]benzamide

4-[2-[2-[[(1S)-1-cyclopropylethyl]amino]-2-oxoethyl]tetrazol-5-yl]benzamide (PubChem CID 8996563) has the molecular formula C15H18N6O2 and a molecular weight of 314.35 g/mol. Its IUPAC name is 4-[2-[2-[[(1S)-1-cyclopropylethyl]amino]-2-oxoethyl]tetrazol-5-yl]benzamide.

Molecular Properties

Compound Name4-[2-[2-[[(1S)-1-cyclopropylethyl]amino]-2-oxoethyl]tetrazol-5-yl]benzamide
PubChem CID8996563
Molecular FormulaC15H18N6O2
Molecular Weight314.35 g/mol
Exact Mass314.15
IUPAC Name4-[2-[2-[[(1S)-1-cyclopropylethyl]amino]-2-oxoethyl]tetrazol-5-yl]benzamide
SMILESC[C@H](NC(=O)Cn1nnc(-c2ccc(C(N)=O)cc2)n1)C1CC1
InChIInChI=1S/C15H18N6O2/c1-9(10-2-3-10)17-13(22)8-21-19-15(18-20-21)12-6-4-11(5-7-12)14(16)23/h4-7,9-10H,2-3,8H2,1H3,(H2,16,23)(H,17,22)/t9-/m0/s1
InChIKeyHZHKUDDUCVAJMB-VIFPVBQESA-N
XLogP0.35
TPSA115.79 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.35
LogP ≤ 50.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[5-(4-bromophenyl)tetrazol-2-yl]-N-[(1R)-1-cyclopropylethyl]acetamide
CID 8598098
N-[(1R)-1-cyclopropylethyl]-2-(5-phenyltetrazol-2-yl)acetamide
CID 8685045
N-[(1R)-1-cyclopropylethyl]-2-[5-(4-fluoro-3-methylphenyl)tetrazol-2-yl]acetamide
CID 94813253
N-[(1R)-1-cyclopropylethyl]-2-[5-(3-fluorophenyl)tetrazol-2-yl]acetamide
CID 41436763
N-(dicyclopropylmethyl)-2-(5-phenyltetrazol-2-yl)acetamide
CID 29466684
4-[2-[2-[[(1R)-1-(1-benzofuran-2-yl)ethyl]amino]-2-oxoethyl]tetrazol-5-yl]benzamide
CID 8996561
N-cycloheptyl-2-[5-(4-propan-2-ylphenyl)tetrazol-2-yl]acetamide
CID 7589043
2-[5-(4-bromophenyl)tetrazol-2-yl]-N-[(2S)-3-methylbutan-2-yl]acetamide
CID 7589128
3-[[2-(5-phenyltetrazol-2-yl)acetyl]amino]butanoic acid
CID 119221158
N-[(2S)-1-methoxypropan-2-yl]-2-[5-(4-methylphenyl)tetrazol-2-yl]acetamide
CID 7465632
2-[5-(4-bromophenyl)tetrazol-2-yl]-N-[(2S)-pentan-2-yl]acetamide
CID 7589146
N-ethyl-2-[[2-[5-(4-methylphenyl)tetrazol-2-yl]acetyl]amino]propanamide
CID 71944277

Frequently Asked Questions

What is the IUPAC name of 4-[2-[2-[[(1S)-1-cyclopropylethyl]amino]-2-oxoethyl]tetrazol-5-yl]benzamide?
The IUPAC name of 4-[2-[2-[[(1S)-1-cyclopropylethyl]amino]-2-oxoethyl]tetrazol-5-yl]benzamide (CID 8996563) is 4-[2-[2-[[(1S)-1-cyclopropylethyl]amino]-2-oxoethyl]tetrazol-5-yl]benzamide.
What is the SMILES notation for 4-[2-[2-[[(1S)-1-cyclopropylethyl]amino]-2-oxoethyl]tetrazol-5-yl]benzamide?
The canonical SMILES for 4-[2-[2-[[(1S)-1-cyclopropylethyl]amino]-2-oxoethyl]tetrazol-5-yl]benzamide is C[C@H](NC(=O)Cn1nnc(-c2ccc(C(N)=O)cc2)n1)C1CC1.
What is the InChIKey of 4-[2-[2-[[(1S)-1-cyclopropylethyl]amino]-2-oxoethyl]tetrazol-5-yl]benzamide?
The InChIKey is HZHKUDDUCVAJMB-VIFPVBQESA-N. The full InChI is InChI=1S/C15H18N6O2/c1-9(10-2-3-10)17-13(22)8-21-19-15(18-20-21)12-6-4-11(5-7-12)14(16)23/h4-7,9-10H,2-3,8H2,1H3,(H2,16,23)(H,17,22)/t9-/m0/s1.
What are the key properties of 4-[2-[2-[[(1S)-1-cyclopropylethyl]amino]-2-oxoethyl]tetrazol-5-yl]benzamide?
4-[2-[2-[[(1S)-1-cyclopropylethyl]amino]-2-oxoethyl]tetrazol-5-yl]benzamide has a molecular weight of 314.35 g/mol, XLogP of 0.35, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[2-[[(1S)-1-cyclopropylethyl]amino]-2-oxoethyl]tetrazol-5-yl]benzamide is sourced from PubChem (CID 8996563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).