(3S)-3-ethyl-N-[3-[ethyl(methyl)amino]phenyl]morpholine-4-carboxamide

C16H25N3O2 — CID 96518024

IUPAC(3S)-3-ethyl-N-[3-[ethyl(methyl)amino]phenyl]morpholine-4-carboxamide
SMILESCC[C@H]1COCCN1C(=O)Nc1cccc(N(C)CC)c1
InChIInChI=1S/C16H25N3O2/c1-4-14-12-21-10-9-19(14)16(20)17-13-7-6-8-15(11-13)18(3)5-2/h6-8,11,14H,4-5,9-10,12H2,1-3H3,(H,17,20)/t14-/m0/s1
InChIKeyQOFBDRZGTQDMLE-AWEZNQCLSA-N
MW291.39 g/mol
LogP2.79
Rot. Bonds4

About (3S)-3-ethyl-N-[3-[ethyl(methyl)amino]phenyl]morpholine-4-carboxamide

(3S)-3-ethyl-N-[3-[ethyl(methyl)amino]phenyl]morpholine-4-carboxamide (PubChem CID 96518024) has the molecular formula C16H25N3O2 and a molecular weight of 291.39 g/mol. Its IUPAC name is (3S)-3-ethyl-N-[3-[ethyl(methyl)amino]phenyl]morpholine-4-carboxamide.

Molecular Properties

Compound Name(3S)-3-ethyl-N-[3-[ethyl(methyl)amino]phenyl]morpholine-4-carboxamide
PubChem CID96518024
Molecular FormulaC16H25N3O2
Molecular Weight291.39 g/mol
Exact Mass291.19
IUPAC Name(3S)-3-ethyl-N-[3-[ethyl(methyl)amino]phenyl]morpholine-4-carboxamide
SMILESCC[C@H]1COCCN1C(=O)Nc1cccc(N(C)CC)c1
InChIInChI=1S/C16H25N3O2/c1-4-14-12-21-10-9-19(14)16(20)17-13-7-6-8-15(11-13)18(3)5-2/h6-8,11,14H,4-5,9-10,12H2,1-3H3,(H,17,20)/t14-/m0/s1
InChIKeyQOFBDRZGTQDMLE-AWEZNQCLSA-N
XLogP2.79
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-[(3-ethylmorpholine-4-carbonyl)amino]-2-fluorobenzoic acid
CID 61202010
N-[3-[[acetyl(methyl)amino]methyl]phenyl]-3-(2-methylpropyl)morpholine-4-carboxamide
CID 56794691
2-[(3-ethylmorpholine-4-carbonyl)amino]-5-fluorobenzoic acid
CID 61201654
(3S)-3-(2-methylpropyl)-N-phenylmorpholine-4-carboxamide
CID 95904890
3-ethyl-N-[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]morpholine-4-carboxamide
CID 138042517
N-[3-[ethyl(methyl)amino]phenyl]butanamide
CID 91181927
(2R)-2-ethyl-N-[3-[[(2R)-2-ethylpiperidine-1-carbonyl]amino]phenyl]piperidine-1-carboxamide
CID 7190614
3-cyano-N-(3-methylphenyl)morpholine-4-carboxamide
CID 110190200
[(3R)-3-ethylmorpholin-4-yl]-[3-(propan-2-ylamino)phenyl]methanone
CID 96536811
3-[(3-ethylmorpholine-4-carbonyl)amino]pyridine-2-carboxylic acid
CID 104743315
N-(2-bromo-4-methoxyphenyl)-3-ethylmorpholine-4-carboxamide
CID 75374576
(3R)-3-[(2S)-2-hydroxy-2-thiophen-2-ylethyl]-N-(3-methoxyphenyl)morpholine-4-carboxamide
CID 96535639

Frequently Asked Questions

What is the IUPAC name of (3S)-3-ethyl-N-[3-[ethyl(methyl)amino]phenyl]morpholine-4-carboxamide?
The IUPAC name of (3S)-3-ethyl-N-[3-[ethyl(methyl)amino]phenyl]morpholine-4-carboxamide (CID 96518024) is (3S)-3-ethyl-N-[3-[ethyl(methyl)amino]phenyl]morpholine-4-carboxamide.
What is the SMILES notation for (3S)-3-ethyl-N-[3-[ethyl(methyl)amino]phenyl]morpholine-4-carboxamide?
The canonical SMILES for (3S)-3-ethyl-N-[3-[ethyl(methyl)amino]phenyl]morpholine-4-carboxamide is CC[C@H]1COCCN1C(=O)Nc1cccc(N(C)CC)c1.
What is the InChIKey of (3S)-3-ethyl-N-[3-[ethyl(methyl)amino]phenyl]morpholine-4-carboxamide?
The InChIKey is QOFBDRZGTQDMLE-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H25N3O2/c1-4-14-12-21-10-9-19(14)16(20)17-13-7-6-8-15(11-13)18(3)5-2/h6-8,11,14H,4-5,9-10,12H2,1-3H3,(H,17,20)/t14-/m0/s1.
What are the key properties of (3S)-3-ethyl-N-[3-[ethyl(methyl)amino]phenyl]morpholine-4-carboxamide?
(3S)-3-ethyl-N-[3-[ethyl(methyl)amino]phenyl]morpholine-4-carboxamide has a molecular weight of 291.39 g/mol, XLogP of 2.79, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-ethyl-N-[3-[ethyl(methyl)amino]phenyl]morpholine-4-carboxamide is sourced from PubChem (CID 96518024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).