N-benzyl-3-[[2-[4-(morpholine-4-carbonyl)anilino]acetyl]amino]benzamide

C27H28N4O4 — CID 54832065

IUPACN-benzyl-3-[[2-[4-(morpholine-4-carbonyl)anilino]acetyl]amino]benzamide
SMILESO=C(CNc1ccc(C(=O)N2CCOCC2)cc1)Nc1cccc(C(=O)NCc2ccccc2)c1
InChIInChI=1S/C27H28N4O4/c32-25(19-28-23-11-9-21(10-12-23)27(34)31-13-15-35-16-14-31)30-24-8-4-7-22(17-24)26(33)29-18-20-5-2-1-3-6-20/h1-12,17,28H,13-16,18-19H2,(H,29,33)(H,30,32)
InChIKeyNZMHXEQNBCTMDO-UHFFFAOYSA-N
MW472.55 g/mol
LogP3.14
Rot. Bonds8

About N-benzyl-3-[[2-[4-(morpholine-4-carbonyl)anilino]acetyl]amino]benzamide

N-benzyl-3-[[2-[4-(morpholine-4-carbonyl)anilino]acetyl]amino]benzamide (PubChem CID 54832065) has the molecular formula C27H28N4O4 and a molecular weight of 472.55 g/mol. Its IUPAC name is N-benzyl-3-[[2-[4-(morpholine-4-carbonyl)anilino]acetyl]amino]benzamide.

Molecular Properties

Compound NameN-benzyl-3-[[2-[4-(morpholine-4-carbonyl)anilino]acetyl]amino]benzamide
PubChem CID54832065
Molecular FormulaC27H28N4O4
Molecular Weight472.55 g/mol
Exact Mass472.21
IUPAC NameN-benzyl-3-[[2-[4-(morpholine-4-carbonyl)anilino]acetyl]amino]benzamide
SMILESO=C(CNc1ccc(C(=O)N2CCOCC2)cc1)Nc1cccc(C(=O)NCc2ccccc2)c1
InChIInChI=1S/C27H28N4O4/c32-25(19-28-23-11-9-21(10-12-23)27(34)31-13-15-35-16-14-31)30-24-8-4-7-22(17-24)26(33)29-18-20-5-2-1-3-6-20/h1-12,17,28H,13-16,18-19H2,(H,29,33)(H,30,32)
InChIKeyNZMHXEQNBCTMDO-UHFFFAOYSA-N
XLogP3.14
TPSA99.77 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.55
LogP ≤ 53.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-methyl-3-[[2-[4-(morpholine-4-carbonyl)anilino]acetyl]amino]benzamide
CID 54832192
N-benzyl-N-methyl-3-[[2-[4-(morpholine-4-carbonyl)anilino]acetyl]amino]benzamide
CID 54831877
3-[[2-[3-(azepane-1-carbonyl)anilino]-2-oxoethyl]amino]-N-benzylbenzamide
CID 54844455
2-[4-(morpholine-4-carbonyl)anilino]-N-phenylacetamide
CID 54832695
2-[4-(morpholine-4-carbonyl)anilino]-N-[3-(piperidine-1-carbonyl)phenyl]acetamide
CID 54832001
2-(benzylamino)-N-[3-(morpholine-4-carbonyl)phenyl]acetamide
CID 54813737
N-benzyl-4-[[2-[3-(piperidine-1-carbonyl)anilino]acetyl]amino]benzamide
CID 54843316
N-(furan-2-ylmethyl)-3-[[2-[4-(morpholine-4-carbonyl)anilino]-2-oxoethyl]amino]benzamide
CID 54834364
N,N-dimethyl-4-[[2-[3-(morpholine-4-carbonyl)anilino]-2-oxoethyl]amino]benzamide
CID 54840817
N-[4-[[2-[3-(morpholine-4-carbonyl)anilino]acetyl]amino]phenyl]-3-phenylpropanamide
CID 54836716
N-tert-butyl-4-[[2-[3-(morpholine-4-carbonyl)anilino]-2-oxoethyl]amino]benzamide
CID 54834411
3-[[2-[4-(morpholine-4-carbonyl)anilino]acetyl]amino]-N,N-dipropylbenzamide
CID 54831876

Frequently Asked Questions

What is the IUPAC name of N-benzyl-3-[[2-[4-(morpholine-4-carbonyl)anilino]acetyl]amino]benzamide?
The IUPAC name of N-benzyl-3-[[2-[4-(morpholine-4-carbonyl)anilino]acetyl]amino]benzamide (CID 54832065) is N-benzyl-3-[[2-[4-(morpholine-4-carbonyl)anilino]acetyl]amino]benzamide.
What is the SMILES notation for N-benzyl-3-[[2-[4-(morpholine-4-carbonyl)anilino]acetyl]amino]benzamide?
The canonical SMILES for N-benzyl-3-[[2-[4-(morpholine-4-carbonyl)anilino]acetyl]amino]benzamide is O=C(CNc1ccc(C(=O)N2CCOCC2)cc1)Nc1cccc(C(=O)NCc2ccccc2)c1.
What is the InChIKey of N-benzyl-3-[[2-[4-(morpholine-4-carbonyl)anilino]acetyl]amino]benzamide?
The InChIKey is NZMHXEQNBCTMDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28N4O4/c32-25(19-28-23-11-9-21(10-12-23)27(34)31-13-15-35-16-14-31)30-24-8-4-7-22(17-24)26(33)29-18-20-5-2-1-3-6-20/h1-12,17,28H,13-16,18-19H2,(H,29,33)(H,30,32).
What are the key properties of N-benzyl-3-[[2-[4-(morpholine-4-carbonyl)anilino]acetyl]amino]benzamide?
N-benzyl-3-[[2-[4-(morpholine-4-carbonyl)anilino]acetyl]amino]benzamide has a molecular weight of 472.55 g/mol, XLogP of 3.14, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-3-[[2-[4-(morpholine-4-carbonyl)anilino]acetyl]amino]benzamide is sourced from PubChem (CID 54832065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).