(2R,3S)-N-[3-(3-chloro-2-methylanilino)-3-oxopropyl]-2-methylmorpholine-3-carboxamide

C16H22ClN3O3 — CID 120929440

IUPAC(2R,3S)-N-[3-(3-chloro-2-methylanilino)-3-oxopropyl]-2-methylmorpholine-3-carboxamide
SMILESCc1c(Cl)cccc1NC(=O)CCNC(=O)[C@H]1NCCO[C@@H]1C
InChIInChI=1S/C16H22ClN3O3/c1-10-12(17)4-3-5-13(10)20-14(21)6-7-19-16(22)15-11(2)23-9-8-18-15/h3-5,11,15,18H,6-9H2,1-2H3,(H,19,22)(H,20,21)/t11-,15+/m1/s1
InChIKeyBBGGHPOWQNBXEN-ABAIWWIYSA-N
MW339.82 g/mol
LogP1.47
Rot. Bonds5

About (2R,3S)-N-[3-(3-chloro-2-methylanilino)-3-oxopropyl]-2-methylmorpholine-3-carboxamide

(2R,3S)-N-[3-(3-chloro-2-methylanilino)-3-oxopropyl]-2-methylmorpholine-3-carboxamide (PubChem CID 120929440) has the molecular formula C16H22ClN3O3 and a molecular weight of 339.82 g/mol. Its IUPAC name is (2R,3S)-N-[3-(3-chloro-2-methylanilino)-3-oxopropyl]-2-methylmorpholine-3-carboxamide.

Molecular Properties

Compound Name(2R,3S)-N-[3-(3-chloro-2-methylanilino)-3-oxopropyl]-2-methylmorpholine-3-carboxamide
PubChem CID120929440
Molecular FormulaC16H22ClN3O3
Molecular Weight339.82 g/mol
Exact Mass339.13
IUPAC Name(2R,3S)-N-[3-(3-chloro-2-methylanilino)-3-oxopropyl]-2-methylmorpholine-3-carboxamide
SMILESCc1c(Cl)cccc1NC(=O)CCNC(=O)[C@H]1NCCO[C@@H]1C
InChIInChI=1S/C16H22ClN3O3/c1-10-12(17)4-3-5-13(10)20-14(21)6-7-19-16(22)15-11(2)23-9-8-18-15/h3-5,11,15,18H,6-9H2,1-2H3,(H,19,22)(H,20,21)/t11-,15+/m1/s1
InChIKeyBBGGHPOWQNBXEN-ABAIWWIYSA-N
XLogP1.47
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.82
LogP ≤ 51.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2R,3S)-N-[2-(2-chlorophenyl)ethyl]-2-methylmorpholine-3-carboxamide;hydrochloride
CID 120921534
(2R,3S)-N-[2-(2,5-dichloroanilino)-2-oxoethyl]-2-methylmorpholine-3-carboxamide
CID 120918693
N,N'-bis(3-chloro-2-methylphenyl)butanediamide
CID 1226548
2-chloro-N-[3-(3-chloro-2-methylanilino)-3-oxopropyl]benzamide
CID 7915102
N,N'-bis(3-chloro-2-methylphenyl)hexanediamide
CID 4050802
N-(3-chloro-2-methylphenyl)-2-morpholin-2-ylacetamide;hydrochloride
CID 119671783
2-amino-N-[3-(3-chloro-2-methylanilino)-3-oxopropyl]-2-methylpentanamide
CID 119762109
N-(3-chloro-2-methylphenyl)-3-(oxolan-2-yl)propanamide
CID 42956717
(2R,3S)-N-[2-(4-fluoroanilino)-2-oxoethyl]-2-methylmorpholine-3-carboxamide
CID 120928792
3-[3-(3-chloro-2-methylanilino)-3-oxopropyl]sulfanyl-N-(3-chloro-2-methylphenyl)propanamide
CID 2168392
N-(3-chloro-2-methylphenyl)-3-[[N'-(2-methylpropyl)carbamimidoyl]amino]propanamide;hydroiodide
CID 111092417
3-(1-adamantylcarbamoylamino)-N-(3-chloro-2-methylphenyl)propanamide
CID 26584433

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-N-[3-(3-chloro-2-methylanilino)-3-oxopropyl]-2-methylmorpholine-3-carboxamide?
The IUPAC name of (2R,3S)-N-[3-(3-chloro-2-methylanilino)-3-oxopropyl]-2-methylmorpholine-3-carboxamide (CID 120929440) is (2R,3S)-N-[3-(3-chloro-2-methylanilino)-3-oxopropyl]-2-methylmorpholine-3-carboxamide.
What is the SMILES notation for (2R,3S)-N-[3-(3-chloro-2-methylanilino)-3-oxopropyl]-2-methylmorpholine-3-carboxamide?
The canonical SMILES for (2R,3S)-N-[3-(3-chloro-2-methylanilino)-3-oxopropyl]-2-methylmorpholine-3-carboxamide is Cc1c(Cl)cccc1NC(=O)CCNC(=O)[C@H]1NCCO[C@@H]1C.
What is the InChIKey of (2R,3S)-N-[3-(3-chloro-2-methylanilino)-3-oxopropyl]-2-methylmorpholine-3-carboxamide?
The InChIKey is BBGGHPOWQNBXEN-ABAIWWIYSA-N. The full InChI is InChI=1S/C16H22ClN3O3/c1-10-12(17)4-3-5-13(10)20-14(21)6-7-19-16(22)15-11(2)23-9-8-18-15/h3-5,11,15,18H,6-9H2,1-2H3,(H,19,22)(H,20,21)/t11-,15+/m1/s1.
What are the key properties of (2R,3S)-N-[3-(3-chloro-2-methylanilino)-3-oxopropyl]-2-methylmorpholine-3-carboxamide?
(2R,3S)-N-[3-(3-chloro-2-methylanilino)-3-oxopropyl]-2-methylmorpholine-3-carboxamide has a molecular weight of 339.82 g/mol, XLogP of 1.47, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-N-[3-(3-chloro-2-methylanilino)-3-oxopropyl]-2-methylmorpholine-3-carboxamide is sourced from PubChem (CID 120929440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).