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

C20H26N6O — CID 134020165

IUPACN-[2-(cyclohexen-1-yl)ethyl]-2-[3-(1-cyclopropyltetrazol-5-yl)anilino]acetamide
SMILESO=C(CNc1cccc(-c2nnnn2C2CC2)c1)NCCC1=CCCCC1
InChIInChI=1S/C20H26N6O/c27-19(21-12-11-15-5-2-1-3-6-15)14-22-17-8-4-7-16(13-17)20-23-24-25-26(20)18-9-10-18/h4-5,7-8,13,18,22H,1-3,6,9-12,14H2,(H,21,27)
InChIKeyLZERILOHMQCGFZ-UHFFFAOYSA-N
MW366.47 g/mol
LogP3.09
Rot. Bonds8

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

N-[2-(cyclohexen-1-yl)ethyl]-2-[3-(1-cyclopropyltetrazol-5-yl)anilino]acetamide (PubChem CID 134020165) has the molecular formula C20H26N6O and a molecular weight of 366.47 g/mol. Its IUPAC name is N-[2-(cyclohexen-1-yl)ethyl]-2-[3-(1-cyclopropyltetrazol-5-yl)anilino]acetamide.

Molecular Properties

Compound NameN-[2-(cyclohexen-1-yl)ethyl]-2-[3-(1-cyclopropyltetrazol-5-yl)anilino]acetamide
PubChem CID134020165
Molecular FormulaC20H26N6O
Molecular Weight366.47 g/mol
Exact Mass366.22
IUPAC NameN-[2-(cyclohexen-1-yl)ethyl]-2-[3-(1-cyclopropyltetrazol-5-yl)anilino]acetamide
SMILESO=C(CNc1cccc(-c2nnnn2C2CC2)c1)NCCC1=CCCCC1
InChIInChI=1S/C20H26N6O/c27-19(21-12-11-15-5-2-1-3-6-15)14-22-17-8-4-7-16(13-17)20-23-24-25-26(20)18-9-10-18/h4-5,7-8,13,18,22H,1-3,6,9-12,14H2,(H,21,27)
InChIKeyLZERILOHMQCGFZ-UHFFFAOYSA-N
XLogP3.09
TPSA84.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.47
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-amino-N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]acetamide;hydrochloride
CID 119276593
3-[3-(1-cyclopropyltetrazol-5-yl)anilino]-3-oxopropanoic acid
CID 62232063
N-[3-[[2-[2-(cyclohexen-1-yl)ethylamino]-2-oxoethyl]amino]phenyl]-2,2-dimethylpropanamide
CID 54835510
N-(2-cyano-3-methylbutan-2-yl)-2-[3-(1-cyclopropyltetrazol-5-yl)anilino]acetamide
CID 55560373
N-[3-[[2-[2-(cyclohexen-1-yl)ethylamino]-2-oxoethyl]amino]phenyl]benzamide
CID 54839268
N-[2-(cyclohexen-1-yl)ethyl]-2-(naphthalen-2-ylamino)acetamide
CID 31665923
3-[[2-[2-(cyclohexen-1-yl)ethylamino]-2-oxoethyl]amino]-N,N-dipropylbenzamide
CID 54841270
N-[2-(cyclohexen-1-yl)ethyl]-2-[3-(morpholine-4-carbonyl)anilino]acetamide
CID 54836739
2-[3-(1-cyclopropyltetrazol-5-yl)anilino]-N-(2,5-diethoxyphenyl)acetamide
CID 55565798
3-[3-[[2-[2-(cyclohexen-1-yl)ethylamino]-2-oxoethyl]amino]phenyl]-N,N-dimethylpropanamide
CID 54845679
3-[[2-[2-(cyclohexen-1-yl)ethylamino]-2-oxoethyl]amino]-N-methyl-N-phenylbenzamide
CID 54837486
2-(4-chloro-3-fluoroanilino)-N-[2-(cyclohexen-1-yl)ethyl]acetamide
CID 55898788

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-2-[3-(1-cyclopropyltetrazol-5-yl)anilino]acetamide?
The IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-2-[3-(1-cyclopropyltetrazol-5-yl)anilino]acetamide (CID 134020165) is N-[2-(cyclohexen-1-yl)ethyl]-2-[3-(1-cyclopropyltetrazol-5-yl)anilino]acetamide.
What is the SMILES notation for N-[2-(cyclohexen-1-yl)ethyl]-2-[3-(1-cyclopropyltetrazol-5-yl)anilino]acetamide?
The canonical SMILES for N-[2-(cyclohexen-1-yl)ethyl]-2-[3-(1-cyclopropyltetrazol-5-yl)anilino]acetamide is O=C(CNc1cccc(-c2nnnn2C2CC2)c1)NCCC1=CCCCC1.
What is the InChIKey of N-[2-(cyclohexen-1-yl)ethyl]-2-[3-(1-cyclopropyltetrazol-5-yl)anilino]acetamide?
The InChIKey is LZERILOHMQCGFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N6O/c27-19(21-12-11-15-5-2-1-3-6-15)14-22-17-8-4-7-16(13-17)20-23-24-25-26(20)18-9-10-18/h4-5,7-8,13,18,22H,1-3,6,9-12,14H2,(H,21,27).
What are the key properties of N-[2-(cyclohexen-1-yl)ethyl]-2-[3-(1-cyclopropyltetrazol-5-yl)anilino]acetamide?
N-[2-(cyclohexen-1-yl)ethyl]-2-[3-(1-cyclopropyltetrazol-5-yl)anilino]acetamide has a molecular weight of 366.47 g/mol, XLogP of 3.09, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclohexen-1-yl)ethyl]-2-[3-(1-cyclopropyltetrazol-5-yl)anilino]acetamide is sourced from PubChem (CID 134020165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).