N-[2,4-dimethyl-5-(morpholin-4-ylmethyl)phenyl]-2-methylcyclohexane-1-carboxamide

C21H32N2O2 — CID 45484690

IUPACN-[2,4-dimethyl-5-(morpholin-4-ylmethyl)phenyl]-2-methylcyclohexane-1-carboxamide
SMILESCc1cc(C)c(NC(=O)C2CCCCC2C)cc1CN1CCOCC1
InChIInChI=1S/C21H32N2O2/c1-15-6-4-5-7-19(15)21(24)22-20-13-18(16(2)12-17(20)3)14-23-8-10-25-11-9-23/h12-13,15,19H,4-11,14H2,1-3H3,(H,22,24)
InChIKeyUZYWZYRCHHGYCC-UHFFFAOYSA-N
MW344.50 g/mol
LogP3.90
Rot. Bonds4

About N-[2,4-dimethyl-5-(morpholin-4-ylmethyl)phenyl]-2-methylcyclohexane-1-carboxamide

N-[2,4-dimethyl-5-(morpholin-4-ylmethyl)phenyl]-2-methylcyclohexane-1-carboxamide (PubChem CID 45484690) has the molecular formula C21H32N2O2 and a molecular weight of 344.50 g/mol. Its IUPAC name is N-[2,4-dimethyl-5-(morpholin-4-ylmethyl)phenyl]-2-methylcyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-[2,4-dimethyl-5-(morpholin-4-ylmethyl)phenyl]-2-methylcyclohexane-1-carboxamide
PubChem CID45484690
Molecular FormulaC21H32N2O2
Molecular Weight344.50 g/mol
Exact Mass344.25
IUPAC NameN-[2,4-dimethyl-5-(morpholin-4-ylmethyl)phenyl]-2-methylcyclohexane-1-carboxamide
SMILESCc1cc(C)c(NC(=O)C2CCCCC2C)cc1CN1CCOCC1
InChIInChI=1S/C21H32N2O2/c1-15-6-4-5-7-19(15)21(24)22-20-13-18(16(2)12-17(20)3)14-23-8-10-25-11-9-23/h12-13,15,19H,4-11,14H2,1-3H3,(H,22,24)
InChIKeyUZYWZYRCHHGYCC-UHFFFAOYSA-N
XLogP3.90
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.50
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[2,4-dimethyl-5-(morpholin-4-ylmethyl)phenyl]-2-methylcyclohexane-1-carboxamide 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-(cyanomethyl)-4-methyl-2-{3-[4-(morpholin-4-yl)phenyl]phenyl}pentanamide
CID 11014664
N-(3,4-dimethylphenyl)-3-morpholin-4-ylpropanamide
CID 740682
N-(cyanomethyl)-4-methyl-2-{3-[3-(morpholin-4-yl)phenyl]phenyl}pentanamide
CID 10992823
N-(cyanomethyl)-4-methyl-2-{3-[2-(morpholin-4-yl)phenyl]phenyl}pentanamide
CID 11132938
N-[2-(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-4-phenylbutanamide
CID 4107211
2-methyl-N-{4-methyl-3-[1-(3-{[(2S)-2-phenylpropanoyl]-amino}propyl)-4-piperidinyl]phenyl}propanamide
CID 10456385
2-methyl-N-{4-methyl-3-[1-(3-{[(2R)-2-phenylpropanoyl]-amino}propyl)-4-piperidinyl]phenyl}propanamide
CID 16756184
5-(cyclopentyl(methyl)amino)-N-((4,6-dimethyl-2-oxo-1,2-dihydropyridin-3-yl)methyl)-4-methyl-4'-(morpholinomethyl)-[1,1'-biphenyl]-3-carboxamide
CID 70872412
Ezh2-IN-16
CID 135249043
3-[cyclobutanecarbonyl(ethyl)amino]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-5-[4-(morpholin-4-ylmethyl)phenyl]benzamide
CID 135249067
3-[cyclopropanecarbonyl(ethyl)amino]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-5-[4-(morpholin-4-ylmethyl)phenyl]benzamide
CID 135249077
3-[cyclopentanecarbonyl(ethyl)amino]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-5-[4-(morpholin-4-ylmethyl)phenyl]benzamide
CID 135249081

Frequently Asked Questions

What is the IUPAC name of N-[2,4-dimethyl-5-(morpholin-4-ylmethyl)phenyl]-2-methylcyclohexane-1-carboxamide?
The IUPAC name of N-[2,4-dimethyl-5-(morpholin-4-ylmethyl)phenyl]-2-methylcyclohexane-1-carboxamide (CID 45484690) is N-[2,4-dimethyl-5-(morpholin-4-ylmethyl)phenyl]-2-methylcyclohexane-1-carboxamide.
What is the SMILES notation for N-[2,4-dimethyl-5-(morpholin-4-ylmethyl)phenyl]-2-methylcyclohexane-1-carboxamide?
The canonical SMILES for N-[2,4-dimethyl-5-(morpholin-4-ylmethyl)phenyl]-2-methylcyclohexane-1-carboxamide is Cc1cc(C)c(NC(=O)C2CCCCC2C)cc1CN1CCOCC1.
What is the InChIKey of N-[2,4-dimethyl-5-(morpholin-4-ylmethyl)phenyl]-2-methylcyclohexane-1-carboxamide?
The InChIKey is UZYWZYRCHHGYCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32N2O2/c1-15-6-4-5-7-19(15)21(24)22-20-13-18(16(2)12-17(20)3)14-23-8-10-25-11-9-23/h12-13,15,19H,4-11,14H2,1-3H3,(H,22,24).
What are the key properties of N-[2,4-dimethyl-5-(morpholin-4-ylmethyl)phenyl]-2-methylcyclohexane-1-carboxamide?
N-[2,4-dimethyl-5-(morpholin-4-ylmethyl)phenyl]-2-methylcyclohexane-1-carboxamide has a molecular weight of 344.50 g/mol, XLogP of 3.90, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,4-dimethyl-5-(morpholin-4-ylmethyl)phenyl]-2-methylcyclohexane-1-carboxamide is sourced from PubChem (CID 45484690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).