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

C23H29N3O4 — CID 54832218

IUPACN-[4-(2-methylpropoxy)phenyl]-2-[4-(morpholine-4-carbonyl)anilino]acetamide
SMILESCC(C)COc1ccc(NC(=O)CNc2ccc(C(=O)N3CCOCC3)cc2)cc1
InChIInChI=1S/C23H29N3O4/c1-17(2)16-30-21-9-7-20(8-10-21)25-22(27)15-24-19-5-3-18(4-6-19)23(28)26-11-13-29-14-12-26/h3-10,17,24H,11-16H2,1-2H3,(H,25,27)
InChIKeyYOAVGMUSRNGDLQ-UHFFFAOYSA-N
MW411.50 g/mol
LogP3.24
Rot. Bonds8

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

N-[4-(2-methylpropoxy)phenyl]-2-[4-(morpholine-4-carbonyl)anilino]acetamide (PubChem CID 54832218) has the molecular formula C23H29N3O4 and a molecular weight of 411.50 g/mol. Its IUPAC name is N-[4-(2-methylpropoxy)phenyl]-2-[4-(morpholine-4-carbonyl)anilino]acetamide.

Molecular Properties

Compound NameN-[4-(2-methylpropoxy)phenyl]-2-[4-(morpholine-4-carbonyl)anilino]acetamide
PubChem CID54832218
Molecular FormulaC23H29N3O4
Molecular Weight411.50 g/mol
Exact Mass411.22
IUPAC NameN-[4-(2-methylpropoxy)phenyl]-2-[4-(morpholine-4-carbonyl)anilino]acetamide
SMILESCC(C)COc1ccc(NC(=O)CNc2ccc(C(=O)N3CCOCC3)cc2)cc1
InChIInChI=1S/C23H29N3O4/c1-17(2)16-30-21-9-7-20(8-10-21)25-22(27)15-24-19-5-3-18(4-6-19)23(28)26-11-13-29-14-12-26/h3-10,17,24H,11-16H2,1-2H3,(H,25,27)
InChIKeyYOAVGMUSRNGDLQ-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

3-methyl-N-[4-[[2-[4-(morpholine-4-carbonyl)anilino]acetyl]amino]phenyl]butanamide
CID 54832093
N-(4-heptoxyphenyl)-2-[4-(morpholine-4-carbonyl)anilino]acetamide
CID 54832283
2-[4-(morpholine-4-carbonyl)anilino]-N-phenylacetamide
CID 54832695
2-[4-(morpholine-4-carbonyl)anilino]-N-[4-(3-phenylpropoxy)phenyl]acetamide
CID 54832122
N-butan-2-yl-4-[[2-[4-(morpholine-4-carbonyl)anilino]-2-oxoethyl]amino]benzamide
CID 54834706
N-[4-(3-methylbutoxy)phenyl]-2-[4-(piperidine-1-carbonyl)anilino]acetamide
CID 54841563
N-ethyl-4-[[2-[4-(morpholine-4-carbonyl)anilino]-2-oxoethyl]amino]benzamide
CID 54839441
N-(4-acetamidophenyl)-2-[4-(2-methylpropoxy)anilino]acetamide
CID 54820398
N-(4-propan-2-yloxyphenyl)-2-[4-(pyrrolidine-1-carbonyl)anilino]acetamide
CID 54834060
N-[3-(morpholine-4-carbonyl)phenyl]-2-(4-propan-2-yloxyanilino)acetamide
CID 54822646
N-(3-methoxyphenyl)-2-[4-(morpholine-4-carbonyl)anilino]acetamide
CID 54832632
N,N-dimethyl-4-[[2-[4-(2-methylpropoxy)anilino]acetyl]amino]benzamide
CID 54820375

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-methylpropoxy)phenyl]-2-[4-(morpholine-4-carbonyl)anilino]acetamide?
The IUPAC name of N-[4-(2-methylpropoxy)phenyl]-2-[4-(morpholine-4-carbonyl)anilino]acetamide (CID 54832218) is N-[4-(2-methylpropoxy)phenyl]-2-[4-(morpholine-4-carbonyl)anilino]acetamide.
What is the SMILES notation for N-[4-(2-methylpropoxy)phenyl]-2-[4-(morpholine-4-carbonyl)anilino]acetamide?
The canonical SMILES for N-[4-(2-methylpropoxy)phenyl]-2-[4-(morpholine-4-carbonyl)anilino]acetamide is CC(C)COc1ccc(NC(=O)CNc2ccc(C(=O)N3CCOCC3)cc2)cc1.
What is the InChIKey of N-[4-(2-methylpropoxy)phenyl]-2-[4-(morpholine-4-carbonyl)anilino]acetamide?
The InChIKey is YOAVGMUSRNGDLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O4/c1-17(2)16-30-21-9-7-20(8-10-21)25-22(27)15-24-19-5-3-18(4-6-19)23(28)26-11-13-29-14-12-26/h3-10,17,24H,11-16H2,1-2H3,(H,25,27).
What are the key properties of N-[4-(2-methylpropoxy)phenyl]-2-[4-(morpholine-4-carbonyl)anilino]acetamide?
N-[4-(2-methylpropoxy)phenyl]-2-[4-(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-[4-(2-methylpropoxy)phenyl]-2-[4-(morpholine-4-carbonyl)anilino]acetamide is sourced from PubChem (CID 54832218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).