N-[1-(4-chlorophenyl)-3-(dimethylamino)propyl]-4-methyl-5-oxo-3-phenylmorpholine-2-carboxamide

C23H28ClN3O3 — CID 110278553

IUPACN-[1-(4-chlorophenyl)-3-(dimethylamino)propyl]-4-methyl-5-oxo-3-phenylmorpholine-2-carboxamide
SMILESCN(C)CCC(NC(=O)C1OCC(=O)N(C)C1c1ccccc1)c1ccc(Cl)cc1
InChIInChI=1S/C23H28ClN3O3/c1-26(2)14-13-19(16-9-11-18(24)12-10-16)25-23(29)22-21(17-7-5-4-6-8-17)27(3)20(28)15-30-22/h4-12,19,21-22H,13-15H2,1-3H3,(H,25,29)
InChIKeyKSMFJBOOHLRWMJ-UHFFFAOYSA-N
MW429.95 g/mol
LogP3.05
Rot. Bonds7

About N-[1-(4-chlorophenyl)-3-(dimethylamino)propyl]-4-methyl-5-oxo-3-phenylmorpholine-2-carboxamide

N-[1-(4-chlorophenyl)-3-(dimethylamino)propyl]-4-methyl-5-oxo-3-phenylmorpholine-2-carboxamide (PubChem CID 110278553) has the molecular formula C23H28ClN3O3 and a molecular weight of 429.95 g/mol. Its IUPAC name is N-[1-(4-chlorophenyl)-3-(dimethylamino)propyl]-4-methyl-5-oxo-3-phenylmorpholine-2-carboxamide.

Molecular Properties

Compound NameN-[1-(4-chlorophenyl)-3-(dimethylamino)propyl]-4-methyl-5-oxo-3-phenylmorpholine-2-carboxamide
PubChem CID110278553
Molecular FormulaC23H28ClN3O3
Molecular Weight429.95 g/mol
Exact Mass429.18
IUPAC NameN-[1-(4-chlorophenyl)-3-(dimethylamino)propyl]-4-methyl-5-oxo-3-phenylmorpholine-2-carboxamide
SMILESCN(C)CCC(NC(=O)C1OCC(=O)N(C)C1c1ccccc1)c1ccc(Cl)cc1
InChIInChI=1S/C23H28ClN3O3/c1-26(2)14-13-19(16-9-11-18(24)12-10-16)25-23(29)22-21(17-7-5-4-6-8-17)27(3)20(28)15-30-22/h4-12,19,21-22H,13-15H2,1-3H3,(H,25,29)
InChIKeyKSMFJBOOHLRWMJ-UHFFFAOYSA-N
XLogP3.05
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.95
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(dimethylamino)-1-(4-fluorophenyl)propyl]-3-(4-fluorophenyl)-4-methyl-5-oxomorpholine-2-carboxamide
CID 110281805
(2S,3S)-3-(4-chlorophenyl)-4-methyl-5-oxo-N-propan-2-ylmorpholine-2-carboxamide
CID 95739578
(2R,3S)-3-(4-chlorophenyl)-4-methyl-5-oxo-N-propan-2-ylmorpholine-2-carboxamide
CID 95739579
4-methyl-5-oxo-3-phenyl-N-(1-phenylethyl)morpholine-2-carboxamide
CID 71687662
(2S,3R)-N-[(2S)-butan-2-yl]-4-methyl-5-oxo-3-phenylmorpholine-2-carboxamide
CID 98768943
(2R,3S)-3-(4-chlorophenyl)-4-methyl-5-oxo-N-prop-2-enylmorpholine-2-carboxamide
CID 95739719
N-[1-(4-chlorophenyl)-3-(dimethylamino)propyl]cyclobutanecarboxamide
CID 110278622
(2R,3R)-3-(4-chlorophenyl)-N-(furan-2-ylmethyl)-4-methyl-5-oxomorpholine-2-carboxamide
CID 95739590
N-(1-methoxyhexan-2-yl)-4-methyl-5-oxo-3-phenylmorpholine-2-carboxamide
CID 155948497
(2S,3S)-3-(4-chlorophenyl)-N-cyclopentyl-4-methyl-5-oxomorpholine-2-carboxamide
CID 95739605
(2S,3R)-3-(4-chlorophenyl)-N-cyclopentyl-4-methyl-5-oxomorpholine-2-carboxamide
CID 95739604
(2S,3R)-N-cyclopentyl-4-methyl-5-oxo-3-phenylmorpholine-2-carboxamide
CID 95738078

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-chlorophenyl)-3-(dimethylamino)propyl]-4-methyl-5-oxo-3-phenylmorpholine-2-carboxamide?
The IUPAC name of N-[1-(4-chlorophenyl)-3-(dimethylamino)propyl]-4-methyl-5-oxo-3-phenylmorpholine-2-carboxamide (CID 110278553) is N-[1-(4-chlorophenyl)-3-(dimethylamino)propyl]-4-methyl-5-oxo-3-phenylmorpholine-2-carboxamide.
What is the SMILES notation for N-[1-(4-chlorophenyl)-3-(dimethylamino)propyl]-4-methyl-5-oxo-3-phenylmorpholine-2-carboxamide?
The canonical SMILES for N-[1-(4-chlorophenyl)-3-(dimethylamino)propyl]-4-methyl-5-oxo-3-phenylmorpholine-2-carboxamide is CN(C)CCC(NC(=O)C1OCC(=O)N(C)C1c1ccccc1)c1ccc(Cl)cc1.
What is the InChIKey of N-[1-(4-chlorophenyl)-3-(dimethylamino)propyl]-4-methyl-5-oxo-3-phenylmorpholine-2-carboxamide?
The InChIKey is KSMFJBOOHLRWMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28ClN3O3/c1-26(2)14-13-19(16-9-11-18(24)12-10-16)25-23(29)22-21(17-7-5-4-6-8-17)27(3)20(28)15-30-22/h4-12,19,21-22H,13-15H2,1-3H3,(H,25,29).
What are the key properties of N-[1-(4-chlorophenyl)-3-(dimethylamino)propyl]-4-methyl-5-oxo-3-phenylmorpholine-2-carboxamide?
N-[1-(4-chlorophenyl)-3-(dimethylamino)propyl]-4-methyl-5-oxo-3-phenylmorpholine-2-carboxamide has a molecular weight of 429.95 g/mol, XLogP of 3.05, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-chlorophenyl)-3-(dimethylamino)propyl]-4-methyl-5-oxo-3-phenylmorpholine-2-carboxamide is sourced from PubChem (CID 110278553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).