N-[[4-[[(1R)-cyclohex-3-en-1-yl]methoxy]phenyl]methyl]-N-cyclopropyl-4-methylbenzamide

C25H29NO2 — CID 26348614

IUPACN-[[4-[[(1R)-cyclohex-3-en-1-yl]methoxy]phenyl]methyl]-N-cyclopropyl-4-methylbenzamide
SMILESCc1ccc(C(=O)N(Cc2ccc(OC[C@H]3CC=CCC3)cc2)C2CC2)cc1
InChIInChI=1S/C25H29NO2/c1-19-7-11-22(12-8-19)25(27)26(23-13-14-23)17-20-9-15-24(16-10-20)28-18-21-5-3-2-4-6-21/h2-3,7-12,15-16,21,23H,4-6,13-14,17-18H2,1H3/t21-/m0/s1
InChIKeyXTIDNYIOZOHWHW-NRFANRHFSA-N
MW375.51 g/mol
LogP5.53
Rot. Bonds7

About N-[[4-[[(1R)-cyclohex-3-en-1-yl]methoxy]phenyl]methyl]-N-cyclopropyl-4-methylbenzamide

N-[[4-[[(1R)-cyclohex-3-en-1-yl]methoxy]phenyl]methyl]-N-cyclopropyl-4-methylbenzamide (PubChem CID 26348614) has the molecular formula C25H29NO2 and a molecular weight of 375.51 g/mol. Its IUPAC name is N-[[4-[[(1R)-cyclohex-3-en-1-yl]methoxy]phenyl]methyl]-N-cyclopropyl-4-methylbenzamide.

Molecular Properties

Compound NameN-[[4-[[(1R)-cyclohex-3-en-1-yl]methoxy]phenyl]methyl]-N-cyclopropyl-4-methylbenzamide
PubChem CID26348614
Molecular FormulaC25H29NO2
Molecular Weight375.51 g/mol
Exact Mass375.22
IUPAC NameN-[[4-[[(1R)-cyclohex-3-en-1-yl]methoxy]phenyl]methyl]-N-cyclopropyl-4-methylbenzamide
SMILESCc1ccc(C(=O)N(Cc2ccc(OC[C@H]3CC=CCC3)cc2)C2CC2)cc1
InChIInChI=1S/C25H29NO2/c1-19-7-11-22(12-8-19)25(27)26(23-13-14-23)17-20-9-15-24(16-10-20)28-18-21-5-3-2-4-6-21/h2-3,7-12,15-16,21,23H,4-6,13-14,17-18H2,1H3/t21-/m0/s1
InChIKeyXTIDNYIOZOHWHW-NRFANRHFSA-N
XLogP5.53
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.51
LogP ≤ 55.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-[[4-[[(1R)-cyclohex-3-en-1-yl]methoxy]phenyl]methyl]-N-cyclopropyl-4-methylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-cyclopropyl-4-(dimethylamino)-N-[(4-methylphenyl)methyl]benzamide
CID 32589817
N-[[4-(cyclohex-3-en-1-ylmethoxy)phenyl]methyl]-N-cyclopropyl-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrazole-3-carboxamide
CID 74791682
N-cyclopropyl-4-methyl-N-(pyridin-4-ylmethyl)benzamide
CID 47011273
N-cyclopropyl-N-[(4-methylphenyl)methyl]-4-methylsulfonylbenzamide
CID 32589766
N-cyclopropyl-N-[(4-methylphenyl)methyl]-4-(2,2,2-trifluoroethoxymethyl)benzamide
CID 55589101
N-cyclopropyl-4-methyl-N-[[3-[(1-methylpiperidin-3-yl)methoxy]phenyl]methyl]benzamide
CID 45201934
4-chloro-N-cyclopropyl-N-[(4-methoxyphenyl)methyl]benzamide
CID 78811592
4-(aminomethyl)-N-cyclopropyl-N-[(4-methoxyphenyl)methyl]benzamide
CID 119272533
methyl 4-[cyclopropyl-[(4-methoxyphenyl)methyl]carbamoyl]benzoate
CID 9298633
N-[[4-(cyclohex-3-en-1-ylmethoxy)phenyl]methyl]-N-(pyridin-4-ylmethyl)-2-(trifluoromethyl)benzamide
CID 45192491
N-cyclopropyl-4-methyl-N-[[3-[[(2S)-oxolan-2-yl]methoxy]phenyl]methyl]benzamide
CID 26320335
bis(cyclohex-3-en-1-ylmethyl) (4-methylphenyl) phosphate
CID 141187341

Frequently Asked Questions

What is the IUPAC name of N-[[4-[[(1R)-cyclohex-3-en-1-yl]methoxy]phenyl]methyl]-N-cyclopropyl-4-methylbenzamide?
The IUPAC name of N-[[4-[[(1R)-cyclohex-3-en-1-yl]methoxy]phenyl]methyl]-N-cyclopropyl-4-methylbenzamide (CID 26348614) is N-[[4-[[(1R)-cyclohex-3-en-1-yl]methoxy]phenyl]methyl]-N-cyclopropyl-4-methylbenzamide.
What is the SMILES notation for N-[[4-[[(1R)-cyclohex-3-en-1-yl]methoxy]phenyl]methyl]-N-cyclopropyl-4-methylbenzamide?
The canonical SMILES for N-[[4-[[(1R)-cyclohex-3-en-1-yl]methoxy]phenyl]methyl]-N-cyclopropyl-4-methylbenzamide is Cc1ccc(C(=O)N(Cc2ccc(OC[C@H]3CC=CCC3)cc2)C2CC2)cc1.
What is the InChIKey of N-[[4-[[(1R)-cyclohex-3-en-1-yl]methoxy]phenyl]methyl]-N-cyclopropyl-4-methylbenzamide?
The InChIKey is XTIDNYIOZOHWHW-NRFANRHFSA-N. The full InChI is InChI=1S/C25H29NO2/c1-19-7-11-22(12-8-19)25(27)26(23-13-14-23)17-20-9-15-24(16-10-20)28-18-21-5-3-2-4-6-21/h2-3,7-12,15-16,21,23H,4-6,13-14,17-18H2,1H3/t21-/m0/s1.
What are the key properties of N-[[4-[[(1R)-cyclohex-3-en-1-yl]methoxy]phenyl]methyl]-N-cyclopropyl-4-methylbenzamide?
N-[[4-[[(1R)-cyclohex-3-en-1-yl]methoxy]phenyl]methyl]-N-cyclopropyl-4-methylbenzamide has a molecular weight of 375.51 g/mol, XLogP of 5.53, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[[(1R)-cyclohex-3-en-1-yl]methoxy]phenyl]methyl]-N-cyclopropyl-4-methylbenzamide is sourced from PubChem (CID 26348614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).