N-(2-cyano-4-methoxyphenyl)-1-propoxycycloheptane-1-carboxamide

C19H26N2O3 — CID 100767499

IUPACN-(2-cyano-4-methoxyphenyl)-1-propoxycycloheptane-1-carboxamide
SMILESCCCOC1(C(=O)Nc2ccc(OC)cc2C#N)CCCCCC1
InChIInChI=1S/C19H26N2O3/c1-3-12-24-19(10-6-4-5-7-11-19)18(22)21-17-9-8-16(23-2)13-15(17)14-20/h8-9,13H,3-7,10-12H2,1-2H3,(H,21,22)
InChIKeyYFOWZVUMZKQCSI-UHFFFAOYSA-N
MW330.43 g/mol
LogP4.02
Rot. Bonds6

About N-(2-cyano-4-methoxyphenyl)-1-propoxycycloheptane-1-carboxamide

N-(2-cyano-4-methoxyphenyl)-1-propoxycycloheptane-1-carboxamide (PubChem CID 100767499) has the molecular formula C19H26N2O3 and a molecular weight of 330.43 g/mol. Its IUPAC name is N-(2-cyano-4-methoxyphenyl)-1-propoxycycloheptane-1-carboxamide.

Molecular Properties

Compound NameN-(2-cyano-4-methoxyphenyl)-1-propoxycycloheptane-1-carboxamide
PubChem CID100767499
Molecular FormulaC19H26N2O3
Molecular Weight330.43 g/mol
Exact Mass330.19
IUPAC NameN-(2-cyano-4-methoxyphenyl)-1-propoxycycloheptane-1-carboxamide
SMILESCCCOC1(C(=O)Nc2ccc(OC)cc2C#N)CCCCCC1
InChIInChI=1S/C19H26N2O3/c1-3-12-24-19(10-6-4-5-7-11-19)18(22)21-17-9-8-16(23-2)13-15(17)14-20/h8-9,13H,3-7,10-12H2,1-2H3,(H,21,22)
InChIKeyYFOWZVUMZKQCSI-UHFFFAOYSA-N
XLogP4.02
TPSA71.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-cyano-4-methoxyphenyl)-1-propoxycyclohexane-1-carboxamide
CID 100767273
[3-cyano-4-[(1-ethoxycyclohexanecarbonyl)amino]phenyl] acetate
CID 100762043
N-(2-cyano-4-propoxyphenyl)-1-(4-methoxyphenyl)cyclohexane-1-carboxamide
CID 100747593
cis-(1R,3R)-N-(2-cyano-4-propoxyphenyl)-3-methyl-1-propoxycyclohexane-1-carboxamide
CID 100768083
N-[4-[(2S)-butan-2-yl]oxy-2-cyanophenyl]-1-ethoxycyclohexane-1-carboxamide
CID 100762030
N-(3-cyano-4-methoxyphenyl)-1-propoxycyclohexane-1-carboxamide
CID 100767233
N-(4-methoxyphenyl)-1-propoxycycloheptane-1-carboxamide
CID 100713654
N-[2-cyano-4-(2-methylpropoxy)phenyl]-4-methyl-1-propoxycyclohexane-1-carboxamide
CID 100768567
N-(4-butoxy-2-cyanophenyl)-1-(4-methoxyphenyl)cyclopentane-1-carboxamide
CID 100744352
trans-(1R,3S)-N-(2-cyano-4-methoxyphenyl)-1-methoxy-3-methylcyclohexane-1-carboxamide
CID 100757283
N-(2-cyano-4-methoxyphenyl)-1-(4-fluorophenyl)cyclopentane-1-carboxamide
CID 100721529
[2-cyano-4-[(1-propoxycyclohexanecarbonyl)amino]phenyl] acetate
CID 100767323

Frequently Asked Questions

What is the IUPAC name of N-(2-cyano-4-methoxyphenyl)-1-propoxycycloheptane-1-carboxamide?
The IUPAC name of N-(2-cyano-4-methoxyphenyl)-1-propoxycycloheptane-1-carboxamide (CID 100767499) is N-(2-cyano-4-methoxyphenyl)-1-propoxycycloheptane-1-carboxamide.
What is the SMILES notation for N-(2-cyano-4-methoxyphenyl)-1-propoxycycloheptane-1-carboxamide?
The canonical SMILES for N-(2-cyano-4-methoxyphenyl)-1-propoxycycloheptane-1-carboxamide is CCCOC1(C(=O)Nc2ccc(OC)cc2C#N)CCCCCC1.
What is the InChIKey of N-(2-cyano-4-methoxyphenyl)-1-propoxycycloheptane-1-carboxamide?
The InChIKey is YFOWZVUMZKQCSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O3/c1-3-12-24-19(10-6-4-5-7-11-19)18(22)21-17-9-8-16(23-2)13-15(17)14-20/h8-9,13H,3-7,10-12H2,1-2H3,(H,21,22).
What are the key properties of N-(2-cyano-4-methoxyphenyl)-1-propoxycycloheptane-1-carboxamide?
N-(2-cyano-4-methoxyphenyl)-1-propoxycycloheptane-1-carboxamide has a molecular weight of 330.43 g/mol, XLogP of 4.02, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyano-4-methoxyphenyl)-1-propoxycycloheptane-1-carboxamide is sourced from PubChem (CID 100767499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).