3-(2,6-dimethylmorpholin-4-yl)-N-(2-methoxyphenyl)propanamide;hydrochloride

C16H25ClN2O3 — CID 2902597

IUPAC3-(2,6-dimethylmorpholin-4-yl)-N-(2-methoxyphenyl)propanamide;hydrochloride
SMILESCOc1ccccc1NC(=O)CCN1CC(C)OC(C)C1.Cl
InChIInChI=1S/C16H24N2O3.ClH/c1-12-10-18(11-13(2)21-12)9-8-16(19)17-14-6-4-5-7-15(14)20-3;/h4-7,12-13H,8-11H2,1-3H3,(H,17,19);1H
InChIKeyCKMNDSZJNXKWHV-UHFFFAOYSA-N
MW328.84 g/mol
LogP2.55
Rot. Bonds5

About 3-(2,6-dimethylmorpholin-4-yl)-N-(2-methoxyphenyl)propanamide;hydrochloride

3-(2,6-dimethylmorpholin-4-yl)-N-(2-methoxyphenyl)propanamide;hydrochloride (PubChem CID 2902597) has the molecular formula C16H25ClN2O3 and a molecular weight of 328.84 g/mol. Its IUPAC name is 3-(2,6-dimethylmorpholin-4-yl)-N-(2-methoxyphenyl)propanamide;hydrochloride.

Molecular Properties

Compound Name3-(2,6-dimethylmorpholin-4-yl)-N-(2-methoxyphenyl)propanamide;hydrochloride
PubChem CID2902597
Molecular FormulaC16H25ClN2O3
Molecular Weight328.84 g/mol
Exact Mass328.16
IUPAC Name3-(2,6-dimethylmorpholin-4-yl)-N-(2-methoxyphenyl)propanamide;hydrochloride
SMILESCOc1ccccc1NC(=O)CCN1CC(C)OC(C)C1.Cl
InChIInChI=1S/C16H24N2O3.ClH/c1-12-10-18(11-13(2)21-12)9-8-16(19)17-14-6-4-5-7-15(14)20-3;/h4-7,12-13H,8-11H2,1-3H3,(H,17,19);1H
InChIKeyCKMNDSZJNXKWHV-UHFFFAOYSA-N
XLogP2.55
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.84
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Urapidil
CID 5639
1-(2-Methoxyphenyl)piperazine
CID 1346
Acetamide, N-(2-methoxyphenyl)-
CID 7135
Acetoacet-o-anisidide
CID 7078
5-Methylurapidil
CID 5640
N-(2-Methoxyphenyl)piperazine hydrochloride
CID 9899402
Urapidil hydrochloride
CID 167980
o-Ethoxyacetanilide
CID 11383
1-(2-Ethoxyphenyl)piperazine
CID 83357
3,4-Dihydro-2H-1,4-benzoxazine-2-carboxamide
CID 26120
1-[2-(Propan-2-yloxy)phenyl]piperazine
CID 10944016
GW542573X
CID 24885053

Frequently Asked Questions

What is the IUPAC name of 3-(2,6-dimethylmorpholin-4-yl)-N-(2-methoxyphenyl)propanamide;hydrochloride?
The IUPAC name of 3-(2,6-dimethylmorpholin-4-yl)-N-(2-methoxyphenyl)propanamide;hydrochloride (CID 2902597) is 3-(2,6-dimethylmorpholin-4-yl)-N-(2-methoxyphenyl)propanamide;hydrochloride.
What is the SMILES notation for 3-(2,6-dimethylmorpholin-4-yl)-N-(2-methoxyphenyl)propanamide;hydrochloride?
The canonical SMILES for 3-(2,6-dimethylmorpholin-4-yl)-N-(2-methoxyphenyl)propanamide;hydrochloride is COc1ccccc1NC(=O)CCN1CC(C)OC(C)C1.Cl.
What is the InChIKey of 3-(2,6-dimethylmorpholin-4-yl)-N-(2-methoxyphenyl)propanamide;hydrochloride?
The InChIKey is CKMNDSZJNXKWHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3.ClH/c1-12-10-18(11-13(2)21-12)9-8-16(19)17-14-6-4-5-7-15(14)20-3;/h4-7,12-13H,8-11H2,1-3H3,(H,17,19);1H.
What are the key properties of 3-(2,6-dimethylmorpholin-4-yl)-N-(2-methoxyphenyl)propanamide;hydrochloride?
3-(2,6-dimethylmorpholin-4-yl)-N-(2-methoxyphenyl)propanamide;hydrochloride has a molecular weight of 328.84 g/mol, XLogP of 2.55, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,6-dimethylmorpholin-4-yl)-N-(2-methoxyphenyl)propanamide;hydrochloride is sourced from PubChem (CID 2902597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).