N-(2-cyanoethyl)-N-cyclopropyl-3-propan-2-yloxybenzamide

C16H20N2O2 — CID 62919298

IUPACN-(2-cyanoethyl)-N-cyclopropyl-3-propan-2-yloxybenzamide
SMILESCC(C)Oc1cccc(C(=O)N(CCC#N)C2CC2)c1
InChIInChI=1S/C16H20N2O2/c1-12(2)20-15-6-3-5-13(11-15)16(19)18(10-4-9-17)14-7-8-14/h3,5-6,11-12,14H,4,7-8,10H2,1-2H3
InChIKeyQAWSBURGHMXWGH-UHFFFAOYSA-N
MW272.35 g/mol
LogP2.99
Rot. Bonds6

About N-(2-cyanoethyl)-N-cyclopropyl-3-propan-2-yloxybenzamide

N-(2-cyanoethyl)-N-cyclopropyl-3-propan-2-yloxybenzamide (PubChem CID 62919298) has the molecular formula C16H20N2O2 and a molecular weight of 272.35 g/mol. Its IUPAC name is N-(2-cyanoethyl)-N-cyclopropyl-3-propan-2-yloxybenzamide.

Molecular Properties

Compound NameN-(2-cyanoethyl)-N-cyclopropyl-3-propan-2-yloxybenzamide
PubChem CID62919298
Molecular FormulaC16H20N2O2
Molecular Weight272.35 g/mol
Exact Mass272.15
IUPAC NameN-(2-cyanoethyl)-N-cyclopropyl-3-propan-2-yloxybenzamide
SMILESCC(C)Oc1cccc(C(=O)N(CCC#N)C2CC2)c1
InChIInChI=1S/C16H20N2O2/c1-12(2)20-15-6-3-5-13(11-15)16(19)18(10-4-9-17)14-7-8-14/h3,5-6,11-12,14H,4,7-8,10H2,1-2H3
InChIKeyQAWSBURGHMXWGH-UHFFFAOYSA-N
XLogP2.99
TPSA53.33 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-bromopropyl)-N-cyclobutyl-3-propan-2-yloxybenzamide
CID 102872526
N-(2-cyanoethyl)-N-cyclopropyl-4-(dimethylamino)benzamide
CID 54997505
4-oxo-4-(3-propan-2-yloxyphenyl)butanenitrile
CID 61213015
N-(2-cyanoethyl)-N-cyclopropyl-3-methoxy-4-methylbenzamide
CID 54982144
N-(2-chloroethyl)-N-cyclopropyl-3-methoxybenzamide
CID 63394478
N-(2-chloroethyl)-N-cyclopropyl-4-propan-2-yloxybenzamide
CID 63394289
N-(2-cyanoethyl)-N-cyclopropyl-5-methylfuran-3-carboxamide
CID 114820604
N-methyl-N-(1-methylpiperidin-4-yl)-3-propan-2-yloxybenzamide
CID 170788099
N-(2-cyanoethyl)-N-cyclopropyl-2,3-dihydro-1H-isoindole-5-carboxamide
CID 103998615
N-(2-cyanoethyl)-N-cyclopropyl-4-(trifluoromethoxy)benzamide
CID 115592849
N-(2-cyanoethyl)-N-cyclopropylpyridazine-4-carboxamide
CID 112702167
N,N-bis(2-cyanoethyl)-3-methoxybenzamide
CID 4626859

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanoethyl)-N-cyclopropyl-3-propan-2-yloxybenzamide?
The IUPAC name of N-(2-cyanoethyl)-N-cyclopropyl-3-propan-2-yloxybenzamide (CID 62919298) is N-(2-cyanoethyl)-N-cyclopropyl-3-propan-2-yloxybenzamide.
What is the SMILES notation for N-(2-cyanoethyl)-N-cyclopropyl-3-propan-2-yloxybenzamide?
The canonical SMILES for N-(2-cyanoethyl)-N-cyclopropyl-3-propan-2-yloxybenzamide is CC(C)Oc1cccc(C(=O)N(CCC#N)C2CC2)c1.
What is the InChIKey of N-(2-cyanoethyl)-N-cyclopropyl-3-propan-2-yloxybenzamide?
The InChIKey is QAWSBURGHMXWGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2/c1-12(2)20-15-6-3-5-13(11-15)16(19)18(10-4-9-17)14-7-8-14/h3,5-6,11-12,14H,4,7-8,10H2,1-2H3.
What are the key properties of N-(2-cyanoethyl)-N-cyclopropyl-3-propan-2-yloxybenzamide?
N-(2-cyanoethyl)-N-cyclopropyl-3-propan-2-yloxybenzamide has a molecular weight of 272.35 g/mol, XLogP of 2.99, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanoethyl)-N-cyclopropyl-3-propan-2-yloxybenzamide is sourced from PubChem (CID 62919298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).