N-[(3-methoxy-4-methylphenyl)methyl]morpholine-3-carboxamide;hydrochloride

C14H21ClN2O3 — CID 119747493

IUPACN-[(3-methoxy-4-methylphenyl)methyl]morpholine-3-carboxamide;hydrochloride
SMILESCOc1cc(CNC(=O)C2COCCN2)ccc1C.Cl
InChIInChI=1S/C14H20N2O3.ClH/c1-10-3-4-11(7-13(10)18-2)8-16-14(17)12-9-19-6-5-15-12;/h3-4,7,12,15H,5-6,8-9H2,1-2H3,(H,16,17);1H
InChIKeyIXGYBRLVDVKOPP-UHFFFAOYSA-N
MW300.79 g/mol
LogP1.03
Rot. Bonds4

About N-[(3-methoxy-4-methylphenyl)methyl]morpholine-3-carboxamide;hydrochloride

N-[(3-methoxy-4-methylphenyl)methyl]morpholine-3-carboxamide;hydrochloride (PubChem CID 119747493) has the molecular formula C14H21ClN2O3 and a molecular weight of 300.79 g/mol. Its IUPAC name is N-[(3-methoxy-4-methylphenyl)methyl]morpholine-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[(3-methoxy-4-methylphenyl)methyl]morpholine-3-carboxamide;hydrochloride
PubChem CID119747493
Molecular FormulaC14H21ClN2O3
Molecular Weight300.79 g/mol
Exact Mass300.12
IUPAC NameN-[(3-methoxy-4-methylphenyl)methyl]morpholine-3-carboxamide;hydrochloride
SMILESCOc1cc(CNC(=O)C2COCCN2)ccc1C.Cl
InChIInChI=1S/C14H20N2O3.ClH/c1-10-3-4-11(7-13(10)18-2)8-16-14(17)12-9-19-6-5-15-12;/h3-4,7,12,15H,5-6,8-9H2,1-2H3,(H,16,17);1H
InChIKeyIXGYBRLVDVKOPP-UHFFFAOYSA-N
XLogP1.03
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.79
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3-chloro-4-methoxyphenyl)methyl]morpholine-3-carboxamide;hydrochloride
CID 119808070
(2S)-N-[(3-methoxy-4-methylphenyl)methyl]pyrrolidine-2-carboxamide
CID 166226032
N-[[4-(methoxymethyl)phenyl]methyl]morpholine-3-carboxamide;hydrochloride
CID 119718110
N-[(3,4-dimethoxy-5-prop-2-enylphenyl)methyl]morpholine-3-carboxamide
CID 119763446
N-[(4-tert-butylphenyl)methyl]morpholine-3-carboxamide;hydrochloride
CID 119707397
N-[(2-methoxynaphthalen-1-yl)methyl]morpholine-3-carboxamide;hydrochloride
CID 119709351
(2R,4S)-4-hydroxy-N-[(3-methoxy-4-methylphenyl)methyl]pyrrolidine-2-carboxamide
CID 124688746
N-[(2,3-dimethoxyphenyl)methyl]morpholine-3-carboxamide;hydrochloride
CID 119708865
N-[[4-(2-methoxyethoxy)phenyl]methyl]morpholine-3-carboxamide
CID 119723243
N-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylmethyl)morpholine-3-carboxamide;hydrochloride
CID 119756162
N-[(2-bromo-4,5-dimethoxyphenyl)methyl]morpholine-3-carboxamide
CID 119771820
N-(4,5-dimethoxy-2-methylphenyl)morpholine-3-carboxamide;hydrochloride
CID 119679081

Frequently Asked Questions

What is the IUPAC name of N-[(3-methoxy-4-methylphenyl)methyl]morpholine-3-carboxamide;hydrochloride?
The IUPAC name of N-[(3-methoxy-4-methylphenyl)methyl]morpholine-3-carboxamide;hydrochloride (CID 119747493) is N-[(3-methoxy-4-methylphenyl)methyl]morpholine-3-carboxamide;hydrochloride.
What is the SMILES notation for N-[(3-methoxy-4-methylphenyl)methyl]morpholine-3-carboxamide;hydrochloride?
The canonical SMILES for N-[(3-methoxy-4-methylphenyl)methyl]morpholine-3-carboxamide;hydrochloride is COc1cc(CNC(=O)C2COCCN2)ccc1C.Cl.
What is the InChIKey of N-[(3-methoxy-4-methylphenyl)methyl]morpholine-3-carboxamide;hydrochloride?
The InChIKey is IXGYBRLVDVKOPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3.ClH/c1-10-3-4-11(7-13(10)18-2)8-16-14(17)12-9-19-6-5-15-12;/h3-4,7,12,15H,5-6,8-9H2,1-2H3,(H,16,17);1H.
What are the key properties of N-[(3-methoxy-4-methylphenyl)methyl]morpholine-3-carboxamide;hydrochloride?
N-[(3-methoxy-4-methylphenyl)methyl]morpholine-3-carboxamide;hydrochloride has a molecular weight of 300.79 g/mol, XLogP of 1.03, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methoxy-4-methylphenyl)methyl]morpholine-3-carboxamide;hydrochloride is sourced from PubChem (CID 119747493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).