N-cyclopropyl-2-(5-cyclopropyltetrazol-2-yl)-N-[(3-methoxyphenyl)methyl]acetamide

C17H21N5O2 — CID 166229308

IUPACN-cyclopropyl-2-(5-cyclopropyltetrazol-2-yl)-N-[(3-methoxyphenyl)methyl]acetamide
SMILESCOc1cccc(CN(C(=O)Cn2nnc(C3CC3)n2)C2CC2)c1
InChIInChI=1S/C17H21N5O2/c1-24-15-4-2-3-12(9-15)10-21(14-7-8-14)16(23)11-22-19-17(18-20-22)13-5-6-13/h2-4,9,13-14H,5-8,10-11H2,1H3
InChIKeyISFWWAWIBBXXAW-UHFFFAOYSA-N
MW327.39 g/mol
LogP1.75
Rot. Bonds7

About N-cyclopropyl-2-(5-cyclopropyltetrazol-2-yl)-N-[(3-methoxyphenyl)methyl]acetamide

N-cyclopropyl-2-(5-cyclopropyltetrazol-2-yl)-N-[(3-methoxyphenyl)methyl]acetamide (PubChem CID 166229308) has the molecular formula C17H21N5O2 and a molecular weight of 327.39 g/mol. Its IUPAC name is N-cyclopropyl-2-(5-cyclopropyltetrazol-2-yl)-N-[(3-methoxyphenyl)methyl]acetamide.

Molecular Properties

Compound NameN-cyclopropyl-2-(5-cyclopropyltetrazol-2-yl)-N-[(3-methoxyphenyl)methyl]acetamide
PubChem CID166229308
Molecular FormulaC17H21N5O2
Molecular Weight327.39 g/mol
Exact Mass327.17
IUPAC NameN-cyclopropyl-2-(5-cyclopropyltetrazol-2-yl)-N-[(3-methoxyphenyl)methyl]acetamide
SMILESCOc1cccc(CN(C(=O)Cn2nnc(C3CC3)n2)C2CC2)c1
InChIInChI=1S/C17H21N5O2/c1-24-15-4-2-3-12(9-15)10-21(14-7-8-14)16(23)11-22-19-17(18-20-22)13-5-6-13/h2-4,9,13-14H,5-8,10-11H2,1H3
InChIKeyISFWWAWIBBXXAW-UHFFFAOYSA-N
XLogP1.75
TPSA73.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.39
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-[(3-methoxyphenyl)methyl]-N-methylacetamide
CID 31129926
2-[5-(4-fluorophenyl)tetrazol-2-yl]-N-[(3-methoxyphenyl)methyl]-N-methylacetamide
CID 7713318
N-[2-(cyclopentylamino)-2-oxoethyl]-N-[(3-methoxyphenyl)methyl]-2-(5-thiophen-2-yltetrazol-2-yl)acetamide
CID 1143452
2-[5-(3-methoxyphenyl)tetrazol-2-yl]-N-methyl-N-[(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methyl]acetamide
CID 46978123
N-cyclopropyl-N-[(3-methoxyphenyl)methyl]-2-[(2S)-morpholin-2-yl]acetamide
CID 95553911
N-[(3-methoxyphenyl)methyl]-N-methylcyclopropanecarboxamide
CID 60630648
3-amino-N-cyclopropyl-N-[(4-methoxyphenyl)methyl]propanamide
CID 39350832
(1S,3S,4S)-4-amino-N-cyclopropyl-3-hydroxy-N-[(3-methoxyphenyl)methyl]cyclohexane-1-carboxamide
CID 155496623
2-[cyclopropyl-[3-(3-methoxyphenyl)propanoyl]amino]acetic acid
CID 60826259
1-cyclopropyl-1-[(3-methoxyphenyl)methyl]-3-[(2S)-2-pyrrolidin-1-ylpropyl]urea
CID 125437502
N-cyclopropyl-N-[(4-methoxyphenyl)methyl]-2-(2-oxo-1-pyridinyl)acetamide
CID 51206707
[3-[[cyclopropyl-(2-methoxyacetyl)amino]methyl]phenyl] ethanesulfonate
CID 42811412

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-(5-cyclopropyltetrazol-2-yl)-N-[(3-methoxyphenyl)methyl]acetamide?
The IUPAC name of N-cyclopropyl-2-(5-cyclopropyltetrazol-2-yl)-N-[(3-methoxyphenyl)methyl]acetamide (CID 166229308) is N-cyclopropyl-2-(5-cyclopropyltetrazol-2-yl)-N-[(3-methoxyphenyl)methyl]acetamide.
What is the SMILES notation for N-cyclopropyl-2-(5-cyclopropyltetrazol-2-yl)-N-[(3-methoxyphenyl)methyl]acetamide?
The canonical SMILES for N-cyclopropyl-2-(5-cyclopropyltetrazol-2-yl)-N-[(3-methoxyphenyl)methyl]acetamide is COc1cccc(CN(C(=O)Cn2nnc(C3CC3)n2)C2CC2)c1.
What is the InChIKey of N-cyclopropyl-2-(5-cyclopropyltetrazol-2-yl)-N-[(3-methoxyphenyl)methyl]acetamide?
The InChIKey is ISFWWAWIBBXXAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5O2/c1-24-15-4-2-3-12(9-15)10-21(14-7-8-14)16(23)11-22-19-17(18-20-22)13-5-6-13/h2-4,9,13-14H,5-8,10-11H2,1H3.
What are the key properties of N-cyclopropyl-2-(5-cyclopropyltetrazol-2-yl)-N-[(3-methoxyphenyl)methyl]acetamide?
N-cyclopropyl-2-(5-cyclopropyltetrazol-2-yl)-N-[(3-methoxyphenyl)methyl]acetamide has a molecular weight of 327.39 g/mol, XLogP of 1.75, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-(5-cyclopropyltetrazol-2-yl)-N-[(3-methoxyphenyl)methyl]acetamide is sourced from PubChem (CID 166229308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).