N-[2-(2-methylpropoxy)phenyl]-2-[3-(morpholine-4-carbonyl)anilino]acetamide

C23H29N3O4 — CID 54836401

IUPACN-[2-(2-methylpropoxy)phenyl]-2-[3-(morpholine-4-carbonyl)anilino]acetamide
SMILESCC(C)COc1ccccc1NC(=O)CNc1cccc(C(=O)N2CCOCC2)c1
InChIInChI=1S/C23H29N3O4/c1-17(2)16-30-21-9-4-3-8-20(21)25-22(27)15-24-19-7-5-6-18(14-19)23(28)26-10-12-29-13-11-26/h3-9,14,17,24H,10-13,15-16H2,1-2H3,(H,25,27)
InChIKeyMJHUGXYWAUIGCD-UHFFFAOYSA-N
MW411.50 g/mol
LogP3.24
Rot. Bonds8

About N-[2-(2-methylpropoxy)phenyl]-2-[3-(morpholine-4-carbonyl)anilino]acetamide

N-[2-(2-methylpropoxy)phenyl]-2-[3-(morpholine-4-carbonyl)anilino]acetamide (PubChem CID 54836401) has the molecular formula C23H29N3O4 and a molecular weight of 411.50 g/mol. Its IUPAC name is N-[2-(2-methylpropoxy)phenyl]-2-[3-(morpholine-4-carbonyl)anilino]acetamide.

Molecular Properties

Compound NameN-[2-(2-methylpropoxy)phenyl]-2-[3-(morpholine-4-carbonyl)anilino]acetamide
PubChem CID54836401
Molecular FormulaC23H29N3O4
Molecular Weight411.50 g/mol
Exact Mass411.22
IUPAC NameN-[2-(2-methylpropoxy)phenyl]-2-[3-(morpholine-4-carbonyl)anilino]acetamide
SMILESCC(C)COc1ccccc1NC(=O)CNc1cccc(C(=O)N2CCOCC2)c1
InChIInChI=1S/C23H29N3O4/c1-17(2)16-30-21-9-4-3-8-20(21)25-22(27)15-24-19-7-5-6-18(14-19)23(28)26-10-12-29-13-11-26/h3-9,14,17,24H,10-13,15-16H2,1-2H3,(H,25,27)
InChIKeyMJHUGXYWAUIGCD-UHFFFAOYSA-N
XLogP3.24
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.50
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-(morpholine-4-carbonyl)phenyl]-2-(2-propan-2-yloxyanilino)acetamide
CID 54830960
3-[[2-[2-(2-methylpropoxy)anilino]-2-oxoethyl]amino]-N-propan-2-ylbenzamide
CID 54833609
N-[2-(2-methylpropoxy)phenyl]-2-[4-(piperidine-1-carbonyl)anilino]acetamide
CID 54841714
N-butan-2-yl-3-[[2-[2-(2-methylpropoxy)anilino]-2-oxoethyl]amino]benzamide
CID 54835273
N-(2-ethoxyphenyl)-2-[4-(morpholine-4-carbonyl)anilino]acetamide
CID 54831932
2-[3-(2-methylpropoxy)anilino]-N-[3-(pyrrolidine-1-carbonyl)phenyl]acetamide
CID 54823197
2-(3-acetamidoanilino)-N-[3-(morpholine-4-carbonyl)phenyl]acetamide
CID 54831502
N-cyclohexyl-3-[[2-[2-(2-methylpropoxy)anilino]-2-oxoethyl]amino]benzamide
CID 54831126
2-[3-(morpholine-4-carbonyl)anilino]-N-[3-(pyrrolidine-1-carbonyl)phenyl]acetamide
CID 54836347
N-(2-phenylmethoxyphenyl)-2-[3-(piperidine-1-carbonyl)anilino]acetamide
CID 54843435
2-methyl-N-[3-[[2-[2-(2-methylpropoxy)anilino]-2-oxoethyl]amino]phenyl]propanamide
CID 54831517
N-[3-(morpholine-4-carbonyl)phenyl]-2-(4-propan-2-yloxyanilino)acetamide
CID 54822646

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methylpropoxy)phenyl]-2-[3-(morpholine-4-carbonyl)anilino]acetamide?
The IUPAC name of N-[2-(2-methylpropoxy)phenyl]-2-[3-(morpholine-4-carbonyl)anilino]acetamide (CID 54836401) is N-[2-(2-methylpropoxy)phenyl]-2-[3-(morpholine-4-carbonyl)anilino]acetamide.
What is the SMILES notation for N-[2-(2-methylpropoxy)phenyl]-2-[3-(morpholine-4-carbonyl)anilino]acetamide?
The canonical SMILES for N-[2-(2-methylpropoxy)phenyl]-2-[3-(morpholine-4-carbonyl)anilino]acetamide is CC(C)COc1ccccc1NC(=O)CNc1cccc(C(=O)N2CCOCC2)c1.
What is the InChIKey of N-[2-(2-methylpropoxy)phenyl]-2-[3-(morpholine-4-carbonyl)anilino]acetamide?
The InChIKey is MJHUGXYWAUIGCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O4/c1-17(2)16-30-21-9-4-3-8-20(21)25-22(27)15-24-19-7-5-6-18(14-19)23(28)26-10-12-29-13-11-26/h3-9,14,17,24H,10-13,15-16H2,1-2H3,(H,25,27).
What are the key properties of N-[2-(2-methylpropoxy)phenyl]-2-[3-(morpholine-4-carbonyl)anilino]acetamide?
N-[2-(2-methylpropoxy)phenyl]-2-[3-(morpholine-4-carbonyl)anilino]acetamide has a molecular weight of 411.50 g/mol, XLogP of 3.24, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methylpropoxy)phenyl]-2-[3-(morpholine-4-carbonyl)anilino]acetamide is sourced from PubChem (CID 54836401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).