N-[2-[2-[2-(cyclohexylamino)-2-oxoethyl]tetrazol-5-yl]phenyl]cyclopropanecarboxamide

C19H24N6O2 — CID 647142

IUPACN-[2-[2-[2-(cyclohexylamino)-2-oxoethyl]tetrazol-5-yl]phenyl]cyclopropanecarboxamide
SMILESO=C(Cn1nnc(-c2ccccc2NC(=O)C2CC2)n1)NC1CCCCC1
InChIInChI=1S/C19H24N6O2/c26-17(20-14-6-2-1-3-7-14)12-25-23-18(22-24-25)15-8-4-5-9-16(15)21-19(27)13-10-11-13/h4-5,8-9,13-14H,1-3,6-7,10-12H2,(H,20,26)(H,21,27)
InChIKeyAGYOEGGYSUQREC-UHFFFAOYSA-N
MW368.44 g/mol
LogP2.14
Rot. Bonds6

About N-[2-[2-[2-(cyclohexylamino)-2-oxoethyl]tetrazol-5-yl]phenyl]cyclopropanecarboxamide

N-[2-[2-[2-(cyclohexylamino)-2-oxoethyl]tetrazol-5-yl]phenyl]cyclopropanecarboxamide (PubChem CID 647142) has the molecular formula C19H24N6O2 and a molecular weight of 368.44 g/mol. Its IUPAC name is N-[2-[2-[2-(cyclohexylamino)-2-oxoethyl]tetrazol-5-yl]phenyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[2-[2-[2-(cyclohexylamino)-2-oxoethyl]tetrazol-5-yl]phenyl]cyclopropanecarboxamide
PubChem CID647142
Molecular FormulaC19H24N6O2
Molecular Weight368.44 g/mol
Exact Mass368.20
IUPAC NameN-[2-[2-[2-(cyclohexylamino)-2-oxoethyl]tetrazol-5-yl]phenyl]cyclopropanecarboxamide
SMILESO=C(Cn1nnc(-c2ccccc2NC(=O)C2CC2)n1)NC1CCCCC1
InChIInChI=1S/C19H24N6O2/c26-17(20-14-6-2-1-3-7-14)12-25-23-18(22-24-25)15-8-4-5-9-16(15)21-19(27)13-10-11-13/h4-5,8-9,13-14H,1-3,6-7,10-12H2,(H,20,26)(H,21,27)
InChIKeyAGYOEGGYSUQREC-UHFFFAOYSA-N
XLogP2.14
TPSA101.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.44
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

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CID 646056
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CID 650750
N-[2-[2-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]tetrazol-5-yl]phenyl]-3-methylbutanamide
CID 1440203
N-(2,6-dimethylphenyl)-2-[5-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]tetrazol-2-yl]acetamide
CID 1462999
N-[2-(2-phenyltetrazol-5-yl)phenyl]cyclohexanecarboxamide
CID 145974134
N-[3-[5-[2-[4-(trifluoromethyl)anilino]phenyl]tetrazol-2-yl]propyl]acetamide
CID 135371577
1-Cyclopropyl-2-[5-[2-[4-(trifluoromethyl)anilino]phenyl]tetrazol-2-yl]ethanone
CID 135372020
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N-[2-[5-[2-[4-(trifluoromethyl)anilino]phenyl]tetrazol-2-yl]ethyl]acetamide
CID 135372350
2-[5-[2-[4-(Trifluoromethyl)anilino]phenyl]tetrazol-2-yl]acetamide
CID 135372434
N,N-dimethyl-2-[5-[2-[4-(trifluoromethyl)anilino]phenyl]tetrazol-2-yl]acetamide
CID 135372491
1-Pyrrolidin-1-yl-2-[5-[2-[4-(trifluoromethyl)anilino]phenyl]tetrazol-2-yl]ethanone
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Frequently Asked Questions

What is the IUPAC name of N-[2-[2-[2-(cyclohexylamino)-2-oxoethyl]tetrazol-5-yl]phenyl]cyclopropanecarboxamide?
The IUPAC name of N-[2-[2-[2-(cyclohexylamino)-2-oxoethyl]tetrazol-5-yl]phenyl]cyclopropanecarboxamide (CID 647142) is N-[2-[2-[2-(cyclohexylamino)-2-oxoethyl]tetrazol-5-yl]phenyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[2-[2-[2-(cyclohexylamino)-2-oxoethyl]tetrazol-5-yl]phenyl]cyclopropanecarboxamide?
The canonical SMILES for N-[2-[2-[2-(cyclohexylamino)-2-oxoethyl]tetrazol-5-yl]phenyl]cyclopropanecarboxamide is O=C(Cn1nnc(-c2ccccc2NC(=O)C2CC2)n1)NC1CCCCC1.
What is the InChIKey of N-[2-[2-[2-(cyclohexylamino)-2-oxoethyl]tetrazol-5-yl]phenyl]cyclopropanecarboxamide?
The InChIKey is AGYOEGGYSUQREC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N6O2/c26-17(20-14-6-2-1-3-7-14)12-25-23-18(22-24-25)15-8-4-5-9-16(15)21-19(27)13-10-11-13/h4-5,8-9,13-14H,1-3,6-7,10-12H2,(H,20,26)(H,21,27).
What are the key properties of N-[2-[2-[2-(cyclohexylamino)-2-oxoethyl]tetrazol-5-yl]phenyl]cyclopropanecarboxamide?
N-[2-[2-[2-(cyclohexylamino)-2-oxoethyl]tetrazol-5-yl]phenyl]cyclopropanecarboxamide has a molecular weight of 368.44 g/mol, XLogP of 2.14, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-[2-(cyclohexylamino)-2-oxoethyl]tetrazol-5-yl]phenyl]cyclopropanecarboxamide is sourced from PubChem (CID 647142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).