4-[[2-[3-(azepane-1-carbonyl)anilino]acetyl]amino]-N-cyclohexylbenzamide

C28H36N4O3 — CID 54841677

IUPAC4-[[2-[3-(azepane-1-carbonyl)anilino]acetyl]amino]-N-cyclohexylbenzamide
SMILESO=C(CNc1cccc(C(=O)N2CCCCCC2)c1)Nc1ccc(C(=O)NC2CCCCC2)cc1
InChIInChI=1S/C28H36N4O3/c33-26(30-24-15-13-21(14-16-24)27(34)31-23-10-4-3-5-11-23)20-29-25-12-8-9-22(19-25)28(35)32-17-6-1-2-7-18-32/h8-9,12-16,19,23,29H,1-7,10-11,17-18,20H2,(H,30,33)(H,31,34)
InChIKeyRCTNRKVRFIKWCE-UHFFFAOYSA-N
MW476.62 g/mol
LogP4.82
Rot. Bonds7

About 4-[[2-[3-(azepane-1-carbonyl)anilino]acetyl]amino]-N-cyclohexylbenzamide

4-[[2-[3-(azepane-1-carbonyl)anilino]acetyl]amino]-N-cyclohexylbenzamide (PubChem CID 54841677) has the molecular formula C28H36N4O3 and a molecular weight of 476.62 g/mol. Its IUPAC name is 4-[[2-[3-(azepane-1-carbonyl)anilino]acetyl]amino]-N-cyclohexylbenzamide.

Molecular Properties

Compound Name4-[[2-[3-(azepane-1-carbonyl)anilino]acetyl]amino]-N-cyclohexylbenzamide
PubChem CID54841677
Molecular FormulaC28H36N4O3
Molecular Weight476.62 g/mol
Exact Mass476.28
IUPAC Name4-[[2-[3-(azepane-1-carbonyl)anilino]acetyl]amino]-N-cyclohexylbenzamide
SMILESO=C(CNc1cccc(C(=O)N2CCCCCC2)c1)Nc1ccc(C(=O)NC2CCCCC2)cc1
InChIInChI=1S/C28H36N4O3/c33-26(30-24-15-13-21(14-16-24)27(34)31-23-10-4-3-5-11-23)20-29-25-12-8-9-22(19-25)28(35)32-17-6-1-2-7-18-32/h8-9,12-16,19,23,29H,1-7,10-11,17-18,20H2,(H,30,33)(H,31,34)
InChIKeyRCTNRKVRFIKWCE-UHFFFAOYSA-N
XLogP4.82
TPSA90.54 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.62
LogP ≤ 54.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

5-[[2-[3-(azepane-1-carbonyl)anilino]-2-oxoethyl]amino]-2-chloro-N-cyclohexylbenzamide
CID 54833251
N-cyclohexyl-2-[3-(piperidine-1-carbonyl)anilino]acetamide
CID 54843492
2-[3-(azepane-1-carbonyl)anilino]-N-[4-(4-methylpiperidine-1-carbonyl)phenyl]acetamide
CID 54841463
4-[[2-[3-(piperidine-1-carbonyl)anilino]acetyl]amino]-N-propan-2-ylbenzamide
CID 54843470
N-[4-(4-methylpiperidine-1-carbonyl)phenyl]-2-[3-(pyrrolidine-1-carbonyl)anilino]acetamide
CID 54841292
N-cyclohexyl-4-[[2-(3-methylanilino)acetyl]amino]benzamide
CID 54810258
2-[3-(azepane-1-carbonyl)anilino]-N-(4-chlorophenyl)acetamide
CID 54841635
N-[4-(morpholine-4-carbonyl)phenyl]-2-[3-(piperidine-1-carbonyl)anilino]acetamide
CID 54843375
N-benzyl-4-[[2-[3-(piperidine-1-carbonyl)anilino]acetyl]amino]benzamide
CID 54843316
N-[4-[[2-[3-(pyrrolidine-1-carbonyl)anilino]acetyl]amino]phenyl]propanamide
CID 54841208
N-[3-(4-methylpiperidine-1-carbonyl)phenyl]-2-[4-(piperidine-1-carbonyl)anilino]acetamide
CID 54841357
N-[4-[[2-[3-(azepane-1-carbonyl)anilino]acetyl]amino]phenyl]-3-methylbenzamide
CID 54841798

Frequently Asked Questions

What is the IUPAC name of 4-[[2-[3-(azepane-1-carbonyl)anilino]acetyl]amino]-N-cyclohexylbenzamide?
The IUPAC name of 4-[[2-[3-(azepane-1-carbonyl)anilino]acetyl]amino]-N-cyclohexylbenzamide (CID 54841677) is 4-[[2-[3-(azepane-1-carbonyl)anilino]acetyl]amino]-N-cyclohexylbenzamide.
What is the SMILES notation for 4-[[2-[3-(azepane-1-carbonyl)anilino]acetyl]amino]-N-cyclohexylbenzamide?
The canonical SMILES for 4-[[2-[3-(azepane-1-carbonyl)anilino]acetyl]amino]-N-cyclohexylbenzamide is O=C(CNc1cccc(C(=O)N2CCCCCC2)c1)Nc1ccc(C(=O)NC2CCCCC2)cc1.
What is the InChIKey of 4-[[2-[3-(azepane-1-carbonyl)anilino]acetyl]amino]-N-cyclohexylbenzamide?
The InChIKey is RCTNRKVRFIKWCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H36N4O3/c33-26(30-24-15-13-21(14-16-24)27(34)31-23-10-4-3-5-11-23)20-29-25-12-8-9-22(19-25)28(35)32-17-6-1-2-7-18-32/h8-9,12-16,19,23,29H,1-7,10-11,17-18,20H2,(H,30,33)(H,31,34).
What are the key properties of 4-[[2-[3-(azepane-1-carbonyl)anilino]acetyl]amino]-N-cyclohexylbenzamide?
4-[[2-[3-(azepane-1-carbonyl)anilino]acetyl]amino]-N-cyclohexylbenzamide has a molecular weight of 476.62 g/mol, XLogP of 4.82, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-[3-(azepane-1-carbonyl)anilino]acetyl]amino]-N-cyclohexylbenzamide is sourced from PubChem (CID 54841677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).