N-[1-(benzylamino)-1-oxopropan-2-yl]morpholine-3-carboxamide;hydrochloride

C15H22ClN3O3 — CID 119750954

IUPACN-[1-(benzylamino)-1-oxopropan-2-yl]morpholine-3-carboxamide;hydrochloride
SMILESCC(NC(=O)C1COCCN1)C(=O)NCc1ccccc1.Cl
InChIInChI=1S/C15H21N3O3.ClH/c1-11(18-15(20)13-10-21-8-7-16-13)14(19)17-9-12-5-3-2-4-6-12;/h2-6,11,13,16H,7-10H2,1H3,(H,17,19)(H,18,20);1H
InChIKeySDHCTJKKIHSWNR-UHFFFAOYSA-N
MW327.81 g/mol
LogP0.22
Rot. Bonds5

About N-[1-(benzylamino)-1-oxopropan-2-yl]morpholine-3-carboxamide;hydrochloride

N-[1-(benzylamino)-1-oxopropan-2-yl]morpholine-3-carboxamide;hydrochloride (PubChem CID 119750954) has the molecular formula C15H22ClN3O3 and a molecular weight of 327.81 g/mol. Its IUPAC name is N-[1-(benzylamino)-1-oxopropan-2-yl]morpholine-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[1-(benzylamino)-1-oxopropan-2-yl]morpholine-3-carboxamide;hydrochloride
PubChem CID119750954
Molecular FormulaC15H22ClN3O3
Molecular Weight327.81 g/mol
Exact Mass327.13
IUPAC NameN-[1-(benzylamino)-1-oxopropan-2-yl]morpholine-3-carboxamide;hydrochloride
SMILESCC(NC(=O)C1COCCN1)C(=O)NCc1ccccc1.Cl
InChIInChI=1S/C15H21N3O3.ClH/c1-11(18-15(20)13-10-21-8-7-16-13)14(19)17-9-12-5-3-2-4-6-12;/h2-6,11,13,16H,7-10H2,1H3,(H,17,19)(H,18,20);1H
InChIKeySDHCTJKKIHSWNR-UHFFFAOYSA-N
XLogP0.22
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.81
LogP ≤ 50.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-N-[(1S)-1-phenylethyl]morpholine-3-carboxamide
CID 16681349
(2S)-2-(morpholine-3-carbonylamino)-4-phenylbutanoic acid
CID 104983382
N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]morpholine-3-carboxamide
CID 107861025
N-(1,1,1-trifluoro-3-phenylpropan-2-yl)morpholine-3-carboxamide;hydrochloride
CID 119801822
N-[(4-tert-butylphenyl)methyl]morpholine-3-carboxamide;hydrochloride
CID 119707397
N-[1-(benzylamino)-1-oxopropan-2-yl]piperidine-3-carboxamide;hydrochloride
CID 119304562
N-(2-phenylsulfanylpropyl)morpholine-3-carboxamide;hydrochloride
CID 119804403
2-[2-[(morpholine-3-carbonylamino)methyl]phenyl]acetic acid
CID 81317493
N-[[3-(butan-2-ylcarbamoyl)phenyl]methyl]morpholine-3-carboxamide;hydrochloride
CID 119719720
N-[1-(2-methylphenyl)ethyl]morpholine-3-carboxamide;hydrochloride
CID 119686030
N-[[4-(methoxymethyl)phenyl]methyl]morpholine-3-carboxamide;hydrochloride
CID 119718110
N-[1-(tert-butylamino)-1-oxopropan-2-yl]morpholine-3-carboxamide
CID 112701693

Frequently Asked Questions

What is the IUPAC name of N-[1-(benzylamino)-1-oxopropan-2-yl]morpholine-3-carboxamide;hydrochloride?
The IUPAC name of N-[1-(benzylamino)-1-oxopropan-2-yl]morpholine-3-carboxamide;hydrochloride (CID 119750954) is N-[1-(benzylamino)-1-oxopropan-2-yl]morpholine-3-carboxamide;hydrochloride.
What is the SMILES notation for N-[1-(benzylamino)-1-oxopropan-2-yl]morpholine-3-carboxamide;hydrochloride?
The canonical SMILES for N-[1-(benzylamino)-1-oxopropan-2-yl]morpholine-3-carboxamide;hydrochloride is CC(NC(=O)C1COCCN1)C(=O)NCc1ccccc1.Cl.
What is the InChIKey of N-[1-(benzylamino)-1-oxopropan-2-yl]morpholine-3-carboxamide;hydrochloride?
The InChIKey is SDHCTJKKIHSWNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O3.ClH/c1-11(18-15(20)13-10-21-8-7-16-13)14(19)17-9-12-5-3-2-4-6-12;/h2-6,11,13,16H,7-10H2,1H3,(H,17,19)(H,18,20);1H.
What are the key properties of N-[1-(benzylamino)-1-oxopropan-2-yl]morpholine-3-carboxamide;hydrochloride?
N-[1-(benzylamino)-1-oxopropan-2-yl]morpholine-3-carboxamide;hydrochloride has a molecular weight of 327.81 g/mol, XLogP of 0.22, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(benzylamino)-1-oxopropan-2-yl]morpholine-3-carboxamide;hydrochloride is sourced from PubChem (CID 119750954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).