(3S)-4-[[3-(4-carbamoyl-2-methylphenyl)-5-hydroxyphenyl]methyl]morpholine-3-carboxamide

C20H23N3O4 — CID 170764378

IUPAC(3S)-4-[[3-(4-carbamoyl-2-methylphenyl)-5-hydroxyphenyl]methyl]morpholine-3-carboxamide
SMILESCc1cc(C(N)=O)ccc1-c1cc(O)cc(CN2CCOC[C@H]2C(N)=O)c1
InChIInChI=1S/C20H23N3O4/c1-12-6-14(19(21)25)2-3-17(12)15-7-13(8-16(24)9-15)10-23-4-5-27-11-18(23)20(22)26/h2-3,6-9,18,24H,4-5,10-11H2,1H3,(H2,21,25)(H2,22,26)/t18-/m0/s1
InChIKeyLVFZBOAJHDBLRZ-SFHVURJKSA-N
MW369.42 g/mol
LogP1.15
Rot. Bonds5

About (3S)-4-[[3-(4-carbamoyl-2-methylphenyl)-5-hydroxyphenyl]methyl]morpholine-3-carboxamide

(3S)-4-[[3-(4-carbamoyl-2-methylphenyl)-5-hydroxyphenyl]methyl]morpholine-3-carboxamide (PubChem CID 170764378) has the molecular formula C20H23N3O4 and a molecular weight of 369.42 g/mol. Its IUPAC name is (3S)-4-[[3-(4-carbamoyl-2-methylphenyl)-5-hydroxyphenyl]methyl]morpholine-3-carboxamide.

Molecular Properties

Compound Name(3S)-4-[[3-(4-carbamoyl-2-methylphenyl)-5-hydroxyphenyl]methyl]morpholine-3-carboxamide
PubChem CID170764378
Molecular FormulaC20H23N3O4
Molecular Weight369.42 g/mol
Exact Mass369.17
IUPAC Name(3S)-4-[[3-(4-carbamoyl-2-methylphenyl)-5-hydroxyphenyl]methyl]morpholine-3-carboxamide
SMILESCc1cc(C(N)=O)ccc1-c1cc(O)cc(CN2CCOC[C@H]2C(N)=O)c1
InChIInChI=1S/C20H23N3O4/c1-12-6-14(19(21)25)2-3-17(12)15-7-13(8-16(24)9-15)10-23-4-5-27-11-18(23)20(22)26/h2-3,6-9,18,24H,4-5,10-11H2,1H3,(H2,21,25)(H2,22,26)/t18-/m0/s1
InChIKeyLVFZBOAJHDBLRZ-SFHVURJKSA-N
XLogP1.15
TPSA118.88 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.42
LogP ≤ 51.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-[3-[[3-(aminomethyl)morpholin-4-yl]methyl]-5-hydroxyphenyl]-3-methylbenzamide
CID 174258423
4-[3-hydroxy-5-(hydroxymethyl)phenyl]-3-methylbenzamide
CID 170764185
4-[(2-amino-4-carbamoylphenyl)methyl]morpholine-3-carboxamide
CID 83101795
4-(pyridin-4-ylmethyl)morpholine-3-carboxamide
CID 132970427
4-[[4-(aminomethyl)phenyl]methyl]morpholine-3-carboxamide
CID 83101444
N-[1-[4-[(Z)-C-aminocarbonohydrazonoyl]phenyl]ethyl]formamide;4-[3-hydroxy-5-(morpholin-4-ylmethyl)phenyl]-3-methylbenzamide
CID 170764322
4-[(2-amino-4-pyridinyl)methyl]morpholine-3-carboxamide
CID 83095376
4-[(2-chloro-4-pyridinyl)methyl]morpholine-3-carboxamide
CID 83092821
4-[(1S)-1-[[(3R)-4-[[3-(4-carbamoyl-2-hydroxyphenyl)phenyl]methyl]morpholine-3-carbonyl]amino]ethyl]benzoic acid
CID 170764319
4-[2-(4-hydroxyphenyl)-2-oxoethyl]morpholine-3-carboxamide
CID 83095436
4-[(3-amino-5-methoxyphenyl)methyl]morpholine-3-carboxamide
CID 83101676
4-[[2-(propylamino)-4-pyridinyl]methyl]morpholine-3-carboxamide
CID 83096353

Frequently Asked Questions

What is the IUPAC name of (3S)-4-[[3-(4-carbamoyl-2-methylphenyl)-5-hydroxyphenyl]methyl]morpholine-3-carboxamide?
The IUPAC name of (3S)-4-[[3-(4-carbamoyl-2-methylphenyl)-5-hydroxyphenyl]methyl]morpholine-3-carboxamide (CID 170764378) is (3S)-4-[[3-(4-carbamoyl-2-methylphenyl)-5-hydroxyphenyl]methyl]morpholine-3-carboxamide.
What is the SMILES notation for (3S)-4-[[3-(4-carbamoyl-2-methylphenyl)-5-hydroxyphenyl]methyl]morpholine-3-carboxamide?
The canonical SMILES for (3S)-4-[[3-(4-carbamoyl-2-methylphenyl)-5-hydroxyphenyl]methyl]morpholine-3-carboxamide is Cc1cc(C(N)=O)ccc1-c1cc(O)cc(CN2CCOC[C@H]2C(N)=O)c1.
What is the InChIKey of (3S)-4-[[3-(4-carbamoyl-2-methylphenyl)-5-hydroxyphenyl]methyl]morpholine-3-carboxamide?
The InChIKey is LVFZBOAJHDBLRZ-SFHVURJKSA-N. The full InChI is InChI=1S/C20H23N3O4/c1-12-6-14(19(21)25)2-3-17(12)15-7-13(8-16(24)9-15)10-23-4-5-27-11-18(23)20(22)26/h2-3,6-9,18,24H,4-5,10-11H2,1H3,(H2,21,25)(H2,22,26)/t18-/m0/s1.
What are the key properties of (3S)-4-[[3-(4-carbamoyl-2-methylphenyl)-5-hydroxyphenyl]methyl]morpholine-3-carboxamide?
(3S)-4-[[3-(4-carbamoyl-2-methylphenyl)-5-hydroxyphenyl]methyl]morpholine-3-carboxamide has a molecular weight of 369.42 g/mol, XLogP of 1.15, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-4-[[3-(4-carbamoyl-2-methylphenyl)-5-hydroxyphenyl]methyl]morpholine-3-carboxamide is sourced from PubChem (CID 170764378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).