N-[cyclopropyl(phenyl)methyl]-2-[5-(phenoxymethyl)tetrazol-2-yl]acetamide

C20H21N5O2 — CID 51296072

IUPACN-[cyclopropyl(phenyl)methyl]-2-[5-(phenoxymethyl)tetrazol-2-yl]acetamide
SMILESO=C(Cn1nnc(COc2ccccc2)n1)NC(c1ccccc1)C1CC1
InChIInChI=1S/C20H21N5O2/c26-19(21-20(16-11-12-16)15-7-3-1-4-8-15)13-25-23-18(22-24-25)14-27-17-9-5-2-6-10-17/h1-10,16,20H,11-14H2,(H,21,26)
InChIKeyCTVLHCQOWVDBQK-UHFFFAOYSA-N
MW363.42 g/mol
LogP2.52
Rot. Bonds8

About N-[cyclopropyl(phenyl)methyl]-2-[5-(phenoxymethyl)tetrazol-2-yl]acetamide

N-[cyclopropyl(phenyl)methyl]-2-[5-(phenoxymethyl)tetrazol-2-yl]acetamide (PubChem CID 51296072) has the molecular formula C20H21N5O2 and a molecular weight of 363.42 g/mol. Its IUPAC name is N-[cyclopropyl(phenyl)methyl]-2-[5-(phenoxymethyl)tetrazol-2-yl]acetamide.

Molecular Properties

Compound NameN-[cyclopropyl(phenyl)methyl]-2-[5-(phenoxymethyl)tetrazol-2-yl]acetamide
PubChem CID51296072
Molecular FormulaC20H21N5O2
Molecular Weight363.42 g/mol
Exact Mass363.17
IUPAC NameN-[cyclopropyl(phenyl)methyl]-2-[5-(phenoxymethyl)tetrazol-2-yl]acetamide
SMILESO=C(Cn1nnc(COc2ccccc2)n1)NC(c1ccccc1)C1CC1
InChIInChI=1S/C20H21N5O2/c26-19(21-20(16-11-12-16)15-7-3-1-4-8-15)13-25-23-18(22-24-25)14-27-17-9-5-2-6-10-17/h1-10,16,20H,11-14H2,(H,21,26)
InChIKeyCTVLHCQOWVDBQK-UHFFFAOYSA-N
XLogP2.52
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.42
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-benzyl-2-[5-(phenoxymethyl)tetrazol-2-yl]acetamide
CID 9071036
2-[5-(phenoxymethyl)tetrazol-2-yl]-N-(4-phenylmethoxyphenyl)acetamide
CID 8868304
N-(4-fluorophenyl)-2-[5-(phenoxymethyl)tetrazol-2-yl]acetamide
CID 9070433
1-[(3S)-3-methylpiperidin-1-yl]-2-[5-(phenoxymethyl)tetrazol-2-yl]ethanone
CID 94015122
2-(3,4-dihydro-2H-quinolin-1-yl)-N'-[2-[5-(phenoxymethyl)tetrazol-2-yl]acetyl]acetohydrazide
CID 8969759
N-(dicyclopropylmethyl)-2-(5-phenyltetrazol-2-yl)acetamide
CID 29466684
N-[(S)-cyclopropyl(phenyl)methyl]-2-[(2-phenoxyacetyl)amino]acetamide
CID 38217020
4-fluoro-N'-[2-[5-(phenoxymethyl)tetrazol-2-yl]acetyl]benzohydrazide
CID 8870849
N-(3-cyanophenyl)-2-[5-(phenoxymethyl)tetrazol-2-yl]acetamide
CID 9083236
N-(3-ethylphenyl)-2-[5-(phenoxymethyl)tetrazol-2-yl]acetamide
CID 26691371
N-(4-bromo-2-methylphenyl)-2-[5-(phenoxymethyl)tetrazol-2-yl]acetamide
CID 9091606
N-(3-chloro-4-methylphenyl)-2-[5-(phenoxymethyl)tetrazol-2-yl]acetamide
CID 26688041

Frequently Asked Questions

What is the IUPAC name of N-[cyclopropyl(phenyl)methyl]-2-[5-(phenoxymethyl)tetrazol-2-yl]acetamide?
The IUPAC name of N-[cyclopropyl(phenyl)methyl]-2-[5-(phenoxymethyl)tetrazol-2-yl]acetamide (CID 51296072) is N-[cyclopropyl(phenyl)methyl]-2-[5-(phenoxymethyl)tetrazol-2-yl]acetamide.
What is the SMILES notation for N-[cyclopropyl(phenyl)methyl]-2-[5-(phenoxymethyl)tetrazol-2-yl]acetamide?
The canonical SMILES for N-[cyclopropyl(phenyl)methyl]-2-[5-(phenoxymethyl)tetrazol-2-yl]acetamide is O=C(Cn1nnc(COc2ccccc2)n1)NC(c1ccccc1)C1CC1.
What is the InChIKey of N-[cyclopropyl(phenyl)methyl]-2-[5-(phenoxymethyl)tetrazol-2-yl]acetamide?
The InChIKey is CTVLHCQOWVDBQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5O2/c26-19(21-20(16-11-12-16)15-7-3-1-4-8-15)13-25-23-18(22-24-25)14-27-17-9-5-2-6-10-17/h1-10,16,20H,11-14H2,(H,21,26).
What are the key properties of N-[cyclopropyl(phenyl)methyl]-2-[5-(phenoxymethyl)tetrazol-2-yl]acetamide?
N-[cyclopropyl(phenyl)methyl]-2-[5-(phenoxymethyl)tetrazol-2-yl]acetamide has a molecular weight of 363.42 g/mol, XLogP of 2.52, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[cyclopropyl(phenyl)methyl]-2-[5-(phenoxymethyl)tetrazol-2-yl]acetamide is sourced from PubChem (CID 51296072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).