N-(2-chloro-4,6-dimethylphenyl)-3-morpholin-4-ylpropanamide

C15H21ClN2O2 — CID 110688490

IUPACN-(2-chloro-4,6-dimethylphenyl)-3-morpholin-4-ylpropanamide
SMILESCc1cc(C)c(NC(=O)CCN2CCOCC2)c(Cl)c1
InChIInChI=1S/C15H21ClN2O2/c1-11-9-12(2)15(13(16)10-11)17-14(19)3-4-18-5-7-20-8-6-18/h9-10H,3-8H2,1-2H3,(H,17,19)
InChIKeyTVOFDPIYNPSLQO-UHFFFAOYSA-N
MW296.80 g/mol
LogP2.62
Rot. Bonds4

About N-(2-chloro-4,6-dimethylphenyl)-3-morpholin-4-ylpropanamide

N-(2-chloro-4,6-dimethylphenyl)-3-morpholin-4-ylpropanamide (PubChem CID 110688490) has the molecular formula C15H21ClN2O2 and a molecular weight of 296.80 g/mol. Its IUPAC name is N-(2-chloro-4,6-dimethylphenyl)-3-morpholin-4-ylpropanamide.

Molecular Properties

Compound NameN-(2-chloro-4,6-dimethylphenyl)-3-morpholin-4-ylpropanamide
PubChem CID110688490
Molecular FormulaC15H21ClN2O2
Molecular Weight296.80 g/mol
Exact Mass296.13
IUPAC NameN-(2-chloro-4,6-dimethylphenyl)-3-morpholin-4-ylpropanamide
SMILESCc1cc(C)c(NC(=O)CCN2CCOCC2)c(Cl)c1
InChIInChI=1S/C15H21ClN2O2/c1-11-9-12(2)15(13(16)10-11)17-14(19)3-4-18-5-7-20-8-6-18/h9-10H,3-8H2,1-2H3,(H,17,19)
InChIKeyTVOFDPIYNPSLQO-UHFFFAOYSA-N
XLogP2.62
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.80
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-methylpiperazin-1-yl)-N-(2,4,6-trimethylphenyl)propanamide
CID 110858181
3-piperidin-1-yl-N-(2,4,6-trimethylphenyl)propanamide
CID 683819
2-[16-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]-1,4,10,13-tetraoxa-7,16-diazacyclooctadec-7-yl]-N-(2,4,6-trimethylphenyl)acetamide
CID 3090863
3-(4-methylpiperidin-1-yl)-N-(2,4,6-trimethylphenyl)propanamide
CID 109014565
2-chloro-N-(2-chloro-4,6-dimethylphenyl)acetamide
CID 2110931
N-(2-chloro-4,6-dimethylphenyl)-5-hydroxypentanamide
CID 79018968
2-[(2-morpholin-4-ylacetyl)amino]-N-(2,4,6-trimethylphenyl)acetamide
CID 27135445
2-bromo-N-(2-chloro-4,6-dimethylphenyl)acetamide
CID 81223490
N-(2-chloro-4,6-dimethylphenyl)-2-(methylamino)acetamide
CID 83537406
N-(2-chloro-4,6-dimethylphenyl)-3-[(3R)-3-[(2-oxopyrrolidin-1-yl)methyl]piperidin-1-yl]propanamide
CID 124750444
N-(2-methyl-6-propan-2-ylphenyl)-3-morpholin-4-ylpropanamide
CID 47093071
4-(azepan-1-yl)-N-(2,4,6-trimethylphenyl)butanamide
CID 3078502

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4,6-dimethylphenyl)-3-morpholin-4-ylpropanamide?
The IUPAC name of N-(2-chloro-4,6-dimethylphenyl)-3-morpholin-4-ylpropanamide (CID 110688490) is N-(2-chloro-4,6-dimethylphenyl)-3-morpholin-4-ylpropanamide.
What is the SMILES notation for N-(2-chloro-4,6-dimethylphenyl)-3-morpholin-4-ylpropanamide?
The canonical SMILES for N-(2-chloro-4,6-dimethylphenyl)-3-morpholin-4-ylpropanamide is Cc1cc(C)c(NC(=O)CCN2CCOCC2)c(Cl)c1.
What is the InChIKey of N-(2-chloro-4,6-dimethylphenyl)-3-morpholin-4-ylpropanamide?
The InChIKey is TVOFDPIYNPSLQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN2O2/c1-11-9-12(2)15(13(16)10-11)17-14(19)3-4-18-5-7-20-8-6-18/h9-10H,3-8H2,1-2H3,(H,17,19).
What are the key properties of N-(2-chloro-4,6-dimethylphenyl)-3-morpholin-4-ylpropanamide?
N-(2-chloro-4,6-dimethylphenyl)-3-morpholin-4-ylpropanamide has a molecular weight of 296.80 g/mol, XLogP of 2.62, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-4,6-dimethylphenyl)-3-morpholin-4-ylpropanamide is sourced from PubChem (CID 110688490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).