N-(cyclohexylmethyl)-2-[4-(1-cyclopropyltetrazol-5-yl)anilino]acetamide

C19H26N6O — CID 39998915

IUPACN-(cyclohexylmethyl)-2-[4-(1-cyclopropyltetrazol-5-yl)anilino]acetamide
SMILESO=C(CNc1ccc(-c2nnnn2C2CC2)cc1)NCC1CCCCC1
InChIInChI=1S/C19H26N6O/c26-18(21-12-14-4-2-1-3-5-14)13-20-16-8-6-15(7-9-16)19-22-23-24-25(19)17-10-11-17/h6-9,14,17,20H,1-5,10-13H2,(H,21,26)
InChIKeyFFOXLNYGRNVAOH-UHFFFAOYSA-N
MW354.46 g/mol
LogP2.78
Rot. Bonds7

About N-(cyclohexylmethyl)-2-[4-(1-cyclopropyltetrazol-5-yl)anilino]acetamide

N-(cyclohexylmethyl)-2-[4-(1-cyclopropyltetrazol-5-yl)anilino]acetamide (PubChem CID 39998915) has the molecular formula C19H26N6O and a molecular weight of 354.46 g/mol. Its IUPAC name is N-(cyclohexylmethyl)-2-[4-(1-cyclopropyltetrazol-5-yl)anilino]acetamide.

Molecular Properties

Compound NameN-(cyclohexylmethyl)-2-[4-(1-cyclopropyltetrazol-5-yl)anilino]acetamide
PubChem CID39998915
Molecular FormulaC19H26N6O
Molecular Weight354.46 g/mol
Exact Mass354.22
IUPAC NameN-(cyclohexylmethyl)-2-[4-(1-cyclopropyltetrazol-5-yl)anilino]acetamide
SMILESO=C(CNc1ccc(-c2nnnn2C2CC2)cc1)NCC1CCCCC1
InChIInChI=1S/C19H26N6O/c26-18(21-12-14-4-2-1-3-5-14)13-20-16-8-6-15(7-9-16)19-22-23-24-25(19)17-10-11-17/h6-9,14,17,20H,1-5,10-13H2,(H,21,26)
InChIKeyFFOXLNYGRNVAOH-UHFFFAOYSA-N
XLogP2.78
TPSA84.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.46
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[4-(1-cyclopropyltetrazol-5-yl)anilino]-N-(4-methylcyclohexyl)acetamide
CID 55565410
2-[4-(1-cyclopropyltetrazol-5-yl)anilino]-N-[4-(difluoromethoxy)phenyl]acetamide
CID 37228950
2-[4-(1-cyclopropyltetrazol-5-yl)anilino]-N-[(3-methoxyphenyl)methyl]acetamide
CID 134020192
2-[4-(1-cyclopropyltetrazol-5-yl)anilino]-1-[(2R,6R)-2,6-dimethylpiperidin-1-yl]ethanone
CID 51934098
2-[4-(1-cyclopropyltetrazol-5-yl)anilino]-1-[(2S,6S)-2,6-dimethylmorpholin-4-yl]ethanone
CID 39998898
N-[1-(4-bromophenyl)ethyl]-2-[4-(1-cyclopropyltetrazol-5-yl)anilino]acetamide
CID 55565705
N-(3-tert-butyl-1,2-oxazol-5-yl)-2-[4-(1-cyclopropyltetrazol-5-yl)anilino]acetamide
CID 134020195
tert-butyl N-[4-(1-cyclopropyltetrazol-5-yl)phenyl]carbamate
CID 65142786
2-anilino-N-(cyclopentylmethyl)acetamide;hydrochloride
CID 119718704
N-carbamoyl-2-[3-(1-cyclopropyltetrazol-5-yl)anilino]acetamide
CID 25332248
2-[3-(1-cyclopropyltetrazol-5-yl)anilino]-N-(4-methoxyphenyl)acetamide
CID 134020154
2-cyclopentyl-N-[4-(1-cyclopropyltetrazol-5-yl)phenyl]pyrrolidine-1-carboxamide
CID 87035105

Frequently Asked Questions

What is the IUPAC name of N-(cyclohexylmethyl)-2-[4-(1-cyclopropyltetrazol-5-yl)anilino]acetamide?
The IUPAC name of N-(cyclohexylmethyl)-2-[4-(1-cyclopropyltetrazol-5-yl)anilino]acetamide (CID 39998915) is N-(cyclohexylmethyl)-2-[4-(1-cyclopropyltetrazol-5-yl)anilino]acetamide.
What is the SMILES notation for N-(cyclohexylmethyl)-2-[4-(1-cyclopropyltetrazol-5-yl)anilino]acetamide?
The canonical SMILES for N-(cyclohexylmethyl)-2-[4-(1-cyclopropyltetrazol-5-yl)anilino]acetamide is O=C(CNc1ccc(-c2nnnn2C2CC2)cc1)NCC1CCCCC1.
What is the InChIKey of N-(cyclohexylmethyl)-2-[4-(1-cyclopropyltetrazol-5-yl)anilino]acetamide?
The InChIKey is FFOXLNYGRNVAOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N6O/c26-18(21-12-14-4-2-1-3-5-14)13-20-16-8-6-15(7-9-16)19-22-23-24-25(19)17-10-11-17/h6-9,14,17,20H,1-5,10-13H2,(H,21,26).
What are the key properties of N-(cyclohexylmethyl)-2-[4-(1-cyclopropyltetrazol-5-yl)anilino]acetamide?
N-(cyclohexylmethyl)-2-[4-(1-cyclopropyltetrazol-5-yl)anilino]acetamide has a molecular weight of 354.46 g/mol, XLogP of 2.78, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexylmethyl)-2-[4-(1-cyclopropyltetrazol-5-yl)anilino]acetamide is sourced from PubChem (CID 39998915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).