3-[[2-[4-(morpholine-4-carbonyl)anilino]acetyl]amino]-N,N-dipropylbenzamide

C26H34N4O4 — CID 54831876

IUPAC3-[[2-[4-(morpholine-4-carbonyl)anilino]acetyl]amino]-N,N-dipropylbenzamide
SMILESCCCN(CCC)C(=O)c1cccc(NC(=O)CNc2ccc(C(=O)N3CCOCC3)cc2)c1
InChIInChI=1S/C26H34N4O4/c1-3-12-29(13-4-2)26(33)21-6-5-7-23(18-21)28-24(31)19-27-22-10-8-20(9-11-22)25(32)30-14-16-34-17-15-30/h5-11,18,27H,3-4,12-17,19H2,1-2H3,(H,28,31)
InChIKeyVZBVXIAEESIWAT-UHFFFAOYSA-N
MW466.58 g/mol
LogP3.47
Rot. Bonds10

About 3-[[2-[4-(morpholine-4-carbonyl)anilino]acetyl]amino]-N,N-dipropylbenzamide

3-[[2-[4-(morpholine-4-carbonyl)anilino]acetyl]amino]-N,N-dipropylbenzamide (PubChem CID 54831876) has the molecular formula C26H34N4O4 and a molecular weight of 466.58 g/mol. Its IUPAC name is 3-[[2-[4-(morpholine-4-carbonyl)anilino]acetyl]amino]-N,N-dipropylbenzamide.

Molecular Properties

Compound Name3-[[2-[4-(morpholine-4-carbonyl)anilino]acetyl]amino]-N,N-dipropylbenzamide
PubChem CID54831876
Molecular FormulaC26H34N4O4
Molecular Weight466.58 g/mol
Exact Mass466.26
IUPAC Name3-[[2-[4-(morpholine-4-carbonyl)anilino]acetyl]amino]-N,N-dipropylbenzamide
SMILESCCCN(CCC)C(=O)c1cccc(NC(=O)CNc2ccc(C(=O)N3CCOCC3)cc2)c1
InChIInChI=1S/C26H34N4O4/c1-3-12-29(13-4-2)26(33)21-6-5-7-23(18-21)28-24(31)19-27-22-10-8-20(9-11-22)25(32)30-14-16-34-17-15-30/h5-11,18,27H,3-4,12-17,19H2,1-2H3,(H,28,31)
InChIKeyVZBVXIAEESIWAT-UHFFFAOYSA-N
XLogP3.47
TPSA90.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.58
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[[2-[4-(morpholine-4-carbonyl)anilino]-2-oxoethyl]amino]-N,N-dipropylbenzamide
CID 54841277
N,N-dimethyl-4-[[2-[3-(morpholine-4-carbonyl)anilino]-2-oxoethyl]amino]benzamide
CID 54840817
N-[4-[[2-[3-(morpholine-4-carbonyl)anilino]-2-oxoethyl]amino]phenyl]butanamide
CID 54836996
N-methyl-3-[[2-[4-(morpholine-4-carbonyl)anilino]acetyl]amino]benzamide
CID 54832192
2-[4-(morpholine-4-carbonyl)anilino]-N-[3-(piperidine-1-carbonyl)phenyl]acetamide
CID 54832001
N-benzyl-N-methyl-3-[[2-[4-(morpholine-4-carbonyl)anilino]acetyl]amino]benzamide
CID 54831877
N-tert-butyl-4-[[2-[3-(morpholine-4-carbonyl)anilino]-2-oxoethyl]amino]benzamide
CID 54834411
3-[[2-(4-chloroanilino)acetyl]amino]-N,N-dipropylbenzamide
CID 54810385
N-(3-methoxyphenyl)-2-[4-(morpholine-4-carbonyl)anilino]acetamide
CID 54832632
N-benzyl-3-[[2-[4-(morpholine-4-carbonyl)anilino]acetyl]amino]benzamide
CID 54832065
2-[4-(morpholine-4-carbonyl)anilino]-N-phenylacetamide
CID 54832695
N-[4-(morpholine-4-carbonyl)phenyl]-2-[3-(piperidine-1-carbonyl)anilino]acetamide
CID 54843375

Frequently Asked Questions

What is the IUPAC name of 3-[[2-[4-(morpholine-4-carbonyl)anilino]acetyl]amino]-N,N-dipropylbenzamide?
The IUPAC name of 3-[[2-[4-(morpholine-4-carbonyl)anilino]acetyl]amino]-N,N-dipropylbenzamide (CID 54831876) is 3-[[2-[4-(morpholine-4-carbonyl)anilino]acetyl]amino]-N,N-dipropylbenzamide.
What is the SMILES notation for 3-[[2-[4-(morpholine-4-carbonyl)anilino]acetyl]amino]-N,N-dipropylbenzamide?
The canonical SMILES for 3-[[2-[4-(morpholine-4-carbonyl)anilino]acetyl]amino]-N,N-dipropylbenzamide is CCCN(CCC)C(=O)c1cccc(NC(=O)CNc2ccc(C(=O)N3CCOCC3)cc2)c1.
What is the InChIKey of 3-[[2-[4-(morpholine-4-carbonyl)anilino]acetyl]amino]-N,N-dipropylbenzamide?
The InChIKey is VZBVXIAEESIWAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34N4O4/c1-3-12-29(13-4-2)26(33)21-6-5-7-23(18-21)28-24(31)19-27-22-10-8-20(9-11-22)25(32)30-14-16-34-17-15-30/h5-11,18,27H,3-4,12-17,19H2,1-2H3,(H,28,31).
What are the key properties of 3-[[2-[4-(morpholine-4-carbonyl)anilino]acetyl]amino]-N,N-dipropylbenzamide?
3-[[2-[4-(morpholine-4-carbonyl)anilino]acetyl]amino]-N,N-dipropylbenzamide has a molecular weight of 466.58 g/mol, XLogP of 3.47, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-[4-(morpholine-4-carbonyl)anilino]acetyl]amino]-N,N-dipropylbenzamide is sourced from PubChem (CID 54831876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).