N-[2-[4-[2-(3-methylanilino)-2-oxoethoxy]phenyl]ethyl]morpholine-2-carboxamide

C22H27N3O4 — CID 119750855

IUPACN-[2-[4-[2-(3-methylanilino)-2-oxoethoxy]phenyl]ethyl]morpholine-2-carboxamide
SMILESCc1cccc(NC(=O)COc2ccc(CCNC(=O)C3CNCCO3)cc2)c1
InChIInChI=1S/C22H27N3O4/c1-16-3-2-4-18(13-16)25-21(26)15-29-19-7-5-17(6-8-19)9-10-24-22(27)20-14-23-11-12-28-20/h2-8,13,20,23H,9-12,14-15H2,1H3,(H,24,27)(H,25,26)
InChIKeyQXNLBRNLXQRTQN-UHFFFAOYSA-N
MW397.48 g/mol
LogP1.66
Rot. Bonds8

About N-[2-[4-[2-(3-methylanilino)-2-oxoethoxy]phenyl]ethyl]morpholine-2-carboxamide

N-[2-[4-[2-(3-methylanilino)-2-oxoethoxy]phenyl]ethyl]morpholine-2-carboxamide (PubChem CID 119750855) has the molecular formula C22H27N3O4 and a molecular weight of 397.48 g/mol. Its IUPAC name is N-[2-[4-[2-(3-methylanilino)-2-oxoethoxy]phenyl]ethyl]morpholine-2-carboxamide.

Molecular Properties

Compound NameN-[2-[4-[2-(3-methylanilino)-2-oxoethoxy]phenyl]ethyl]morpholine-2-carboxamide
PubChem CID119750855
Molecular FormulaC22H27N3O4
Molecular Weight397.48 g/mol
Exact Mass397.20
IUPAC NameN-[2-[4-[2-(3-methylanilino)-2-oxoethoxy]phenyl]ethyl]morpholine-2-carboxamide
SMILESCc1cccc(NC(=O)COc2ccc(CCNC(=O)C3CNCCO3)cc2)c1
InChIInChI=1S/C22H27N3O4/c1-16-3-2-4-18(13-16)25-21(26)15-29-19-7-5-17(6-8-19)9-10-24-22(27)20-14-23-11-12-28-20/h2-8,13,20,23H,9-12,14-15H2,1H3,(H,24,27)(H,25,26)
InChIKeyQXNLBRNLXQRTQN-UHFFFAOYSA-N
XLogP1.66
TPSA88.69 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.48
LogP ≤ 51.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3-amino-N-[2-[4-[2-(3-methylanilino)-2-oxoethoxy]phenyl]ethyl]cyclopentane-1-carboxamide;hydrochloride
CID 119750840
N-[2-[4-[2-(4-methylanilino)-2-oxoethoxy]phenyl]ethyl]pyrrolidine-3-carboxamide;hydrochloride
CID 119751120
N-[[3-[(3-methylphenyl)carbamoylamino]phenyl]methyl]morpholine-2-carboxamide;hydrochloride
CID 119719704
N-[3-[(3-methylphenyl)methoxy]phenyl]morpholine-2-carboxamide
CID 119783770
N-[2-[4-[2-(4-methylanilino)-2-oxoethoxy]phenyl]ethyl]piperidine-4-carboxamide
CID 119304611
2-[4-(hydroxymethyl)phenoxy]-N-(3-methylphenyl)acetamide
CID 28561560
(2S)-2-amino-4-methyl-N-[2-[4-[2-(3-methylanilino)-2-oxoethoxy]phenyl]ethyl]pentanamide;hydrochloride
CID 119750862
2-[4-[(3-methylanilino)methyl]phenoxy]-N-(3-methylphenyl)acetamide
CID 126267882
N-[2-[3-(methylcarbamoyl)phenyl]ethyl]morpholine-2-carboxamide
CID 119798226
N-[2-(4-bromophenoxy)ethyl]morpholine-2-carboxamide
CID 119757535
3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[2-[4-[2-(3-methylanilino)-2-oxoethoxy]phenyl]ethyl]propanamide
CID 177250750
N-[[3-(3-methylphenyl)phenyl]methyl]morpholine-2-carboxamide
CID 119767529

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-[2-(3-methylanilino)-2-oxoethoxy]phenyl]ethyl]morpholine-2-carboxamide?
The IUPAC name of N-[2-[4-[2-(3-methylanilino)-2-oxoethoxy]phenyl]ethyl]morpholine-2-carboxamide (CID 119750855) is N-[2-[4-[2-(3-methylanilino)-2-oxoethoxy]phenyl]ethyl]morpholine-2-carboxamide.
What is the SMILES notation for N-[2-[4-[2-(3-methylanilino)-2-oxoethoxy]phenyl]ethyl]morpholine-2-carboxamide?
The canonical SMILES for N-[2-[4-[2-(3-methylanilino)-2-oxoethoxy]phenyl]ethyl]morpholine-2-carboxamide is Cc1cccc(NC(=O)COc2ccc(CCNC(=O)C3CNCCO3)cc2)c1.
What is the InChIKey of N-[2-[4-[2-(3-methylanilino)-2-oxoethoxy]phenyl]ethyl]morpholine-2-carboxamide?
The InChIKey is QXNLBRNLXQRTQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O4/c1-16-3-2-4-18(13-16)25-21(26)15-29-19-7-5-17(6-8-19)9-10-24-22(27)20-14-23-11-12-28-20/h2-8,13,20,23H,9-12,14-15H2,1H3,(H,24,27)(H,25,26).
What are the key properties of N-[2-[4-[2-(3-methylanilino)-2-oxoethoxy]phenyl]ethyl]morpholine-2-carboxamide?
N-[2-[4-[2-(3-methylanilino)-2-oxoethoxy]phenyl]ethyl]morpholine-2-carboxamide has a molecular weight of 397.48 g/mol, XLogP of 1.66, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-[2-(3-methylanilino)-2-oxoethoxy]phenyl]ethyl]morpholine-2-carboxamide is sourced from PubChem (CID 119750855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).