(2R,3S)-N-[3-[2-(diethylamino)ethylcarbamoyl]phenyl]-2-methylmorpholine-3-carboxamide

C19H30N4O3 — CID 120939024

IUPAC(2R,3S)-N-[3-[2-(diethylamino)ethylcarbamoyl]phenyl]-2-methylmorpholine-3-carboxamide
SMILESCCN(CC)CCNC(=O)c1cccc(NC(=O)[C@H]2NCCO[C@@H]2C)c1
InChIInChI=1S/C19H30N4O3/c1-4-23(5-2)11-9-21-18(24)15-7-6-8-16(13-15)22-19(25)17-14(3)26-12-10-20-17/h6-8,13-14,17,20H,4-5,9-12H2,1-3H3,(H,21,24)(H,22,25)/t14-,17+/m1/s1
InChIKeyFVSMNPRMRVWCDJ-PBHICJAKSA-N
MW362.47 g/mol
LogP1.07
Rot. Bonds8

About (2R,3S)-N-[3-[2-(diethylamino)ethylcarbamoyl]phenyl]-2-methylmorpholine-3-carboxamide

(2R,3S)-N-[3-[2-(diethylamino)ethylcarbamoyl]phenyl]-2-methylmorpholine-3-carboxamide (PubChem CID 120939024) has the molecular formula C19H30N4O3 and a molecular weight of 362.47 g/mol. Its IUPAC name is (2R,3S)-N-[3-[2-(diethylamino)ethylcarbamoyl]phenyl]-2-methylmorpholine-3-carboxamide.

Molecular Properties

Compound Name(2R,3S)-N-[3-[2-(diethylamino)ethylcarbamoyl]phenyl]-2-methylmorpholine-3-carboxamide
PubChem CID120939024
Molecular FormulaC19H30N4O3
Molecular Weight362.47 g/mol
Exact Mass362.23
IUPAC Name(2R,3S)-N-[3-[2-(diethylamino)ethylcarbamoyl]phenyl]-2-methylmorpholine-3-carboxamide
SMILESCCN(CC)CCNC(=O)c1cccc(NC(=O)[C@H]2NCCO[C@@H]2C)c1
InChIInChI=1S/C19H30N4O3/c1-4-23(5-2)11-9-21-18(24)15-7-6-8-16(13-15)22-19(25)17-14(3)26-12-10-20-17/h6-8,13-14,17,20H,4-5,9-12H2,1-3H3,(H,21,24)(H,22,25)/t14-,17+/m1/s1
InChIKeyFVSMNPRMRVWCDJ-PBHICJAKSA-N
XLogP1.07
TPSA82.70 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.47
LogP ≤ 51.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

(2R,3S)-2-methyl-N-[3-[methyl(propan-2-yl)amino]phenyl]morpholine-3-carboxamide
CID 120941563
(2R,3S)-N-[3-[2-(diethylamino)-2-oxoethoxy]phenyl]-2-methylmorpholine-3-carboxamide
CID 120922885
(2R,3S)-N-[[3-(ethylcarbamoyl)phenyl]methyl]-2-methylmorpholine-3-carboxamide
CID 120925797
(2R,3S)-N-[3-[acetyl(methyl)amino]phenyl]-2-methylmorpholine-3-carboxamide
CID 120934367
(2R,3S)-N-[3-[[ethyl-(2,2,2-trifluoroacetyl)amino]methyl]phenyl]-2-methylmorpholine-3-carboxamide
CID 120925553
(2R,3S)-2-methyl-N-[3-(thiomorpholine-4-carbonyl)phenyl]morpholine-3-carboxamide;hydrochloride
CID 120929063
(2R,3S)-2-methyl-N-[3-(methylsulfonylmethyl)phenyl]morpholine-3-carboxamide
CID 120928654
(2R,3S)-2-methyl-N-[3-(trifluoromethyl)phenyl]morpholine-3-carboxamide;hydrochloride
CID 120917101
3-[(2-amino-2-methylpropanoyl)amino]-N-[2-(diethylamino)ethyl]benzamide
CID 119847657
(2R,3S)-2-methyl-N-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]morpholine-3-carboxamide
CID 120925374
(2R,3S)-N-[4-[(2-fluorophenyl)methylcarbamoyl]phenyl]-2-methylmorpholine-3-carboxamide
CID 120923570
(2R,3S)-N-[[3-(cyclohexanecarbonylamino)phenyl]methyl]-2-methylmorpholine-3-carboxamide
CID 120926374

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-N-[3-[2-(diethylamino)ethylcarbamoyl]phenyl]-2-methylmorpholine-3-carboxamide?
The IUPAC name of (2R,3S)-N-[3-[2-(diethylamino)ethylcarbamoyl]phenyl]-2-methylmorpholine-3-carboxamide (CID 120939024) is (2R,3S)-N-[3-[2-(diethylamino)ethylcarbamoyl]phenyl]-2-methylmorpholine-3-carboxamide.
What is the SMILES notation for (2R,3S)-N-[3-[2-(diethylamino)ethylcarbamoyl]phenyl]-2-methylmorpholine-3-carboxamide?
The canonical SMILES for (2R,3S)-N-[3-[2-(diethylamino)ethylcarbamoyl]phenyl]-2-methylmorpholine-3-carboxamide is CCN(CC)CCNC(=O)c1cccc(NC(=O)[C@H]2NCCO[C@@H]2C)c1.
What is the InChIKey of (2R,3S)-N-[3-[2-(diethylamino)ethylcarbamoyl]phenyl]-2-methylmorpholine-3-carboxamide?
The InChIKey is FVSMNPRMRVWCDJ-PBHICJAKSA-N. The full InChI is InChI=1S/C19H30N4O3/c1-4-23(5-2)11-9-21-18(24)15-7-6-8-16(13-15)22-19(25)17-14(3)26-12-10-20-17/h6-8,13-14,17,20H,4-5,9-12H2,1-3H3,(H,21,24)(H,22,25)/t14-,17+/m1/s1.
What are the key properties of (2R,3S)-N-[3-[2-(diethylamino)ethylcarbamoyl]phenyl]-2-methylmorpholine-3-carboxamide?
(2R,3S)-N-[3-[2-(diethylamino)ethylcarbamoyl]phenyl]-2-methylmorpholine-3-carboxamide has a molecular weight of 362.47 g/mol, XLogP of 1.07, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-N-[3-[2-(diethylamino)ethylcarbamoyl]phenyl]-2-methylmorpholine-3-carboxamide is sourced from PubChem (CID 120939024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).