N-[3-[4-(4-ethoxybenzoyl)-1,4-diazepane-1-carbonyl]phenyl]acetamide

C23H27N3O4 — CID 108545962

IUPACN-[3-[4-(4-ethoxybenzoyl)-1,4-diazepane-1-carbonyl]phenyl]acetamide
SMILESCCOc1ccc(C(=O)N2CCCN(C(=O)c3cccc(NC(C)=O)c3)CC2)cc1
InChIInChI=1S/C23H27N3O4/c1-3-30-21-10-8-18(9-11-21)22(28)25-12-5-13-26(15-14-25)23(29)19-6-4-7-20(16-19)24-17(2)27/h4,6-11,16H,3,5,12-15H2,1-2H3,(H,24,27)
InChIKeyKQNBSYFFWPDXOU-UHFFFAOYSA-N
MW409.49 g/mol
LogP3.03
Rot. Bonds5

About N-[3-[4-(4-ethoxybenzoyl)-1,4-diazepane-1-carbonyl]phenyl]acetamide

N-[3-[4-(4-ethoxybenzoyl)-1,4-diazepane-1-carbonyl]phenyl]acetamide (PubChem CID 108545962) has the molecular formula C23H27N3O4 and a molecular weight of 409.49 g/mol. Its IUPAC name is N-[3-[4-(4-ethoxybenzoyl)-1,4-diazepane-1-carbonyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[3-[4-(4-ethoxybenzoyl)-1,4-diazepane-1-carbonyl]phenyl]acetamide
PubChem CID108545962
Molecular FormulaC23H27N3O4
Molecular Weight409.49 g/mol
Exact Mass409.20
IUPAC NameN-[3-[4-(4-ethoxybenzoyl)-1,4-diazepane-1-carbonyl]phenyl]acetamide
SMILESCCOc1ccc(C(=O)N2CCCN(C(=O)c3cccc(NC(C)=O)c3)CC2)cc1
InChIInChI=1S/C23H27N3O4/c1-3-30-21-10-8-18(9-11-21)22(28)25-12-5-13-26(15-14-25)23(29)19-6-4-7-20(16-19)24-17(2)27/h4,6-11,16H,3,5,12-15H2,1-2H3,(H,24,27)
InChIKeyKQNBSYFFWPDXOU-UHFFFAOYSA-N
XLogP3.03
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.49
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-[4-[2-(2-ethoxyphenoxy)acetyl]-1,4-diazepane-1-carbonyl]phenyl]acetamide
CID 108546400
methyl 4-(3-acetamidobenzoyl)-1,4-diazepane-1-carboxylate
CID 110808690
4-ethoxy-N-[3-(morpholine-4-carbonyl)phenyl]benzamide
CID 17205497
N-[3-[4-(4-pyrrol-1-ylbenzoyl)-1,4-diazepane-1-carbonyl]phenyl]acetamide
CID 108547121
aziridin-1-yl-(4-ethoxyphenyl)methanone
CID 121216936
N-[3-(azepane-1-carbonyl)phenyl]-4-ethoxybenzenesulfonamide
CID 7398605
N-[3-(azepane-1-carbonyl)phenyl]-4-butoxybenzamide
CID 26159451
[4-(3,4-dimethoxybenzoyl)-1,4-diazepan-1-yl]-(4-ethoxyphenyl)methanone
CID 108543772
N-[3-[4-(3-methylbutanoyl)-1,4-diazepane-1-carbonyl]phenyl]acetamide
CID 110806834
tert-butyl 4-(3-acetamidobenzoyl)-1,4-diazepane-1-carboxylate
CID 51123070
[4-(3-ethoxybenzoyl)piperazin-1-yl]-(3-ethoxyphenyl)methanone
CID 4958094
3-ethoxy-N-[4-(pyrrolidine-1-carbonyl)phenyl]benzamide
CID 17196395

Frequently Asked Questions

What is the IUPAC name of N-[3-[4-(4-ethoxybenzoyl)-1,4-diazepane-1-carbonyl]phenyl]acetamide?
The IUPAC name of N-[3-[4-(4-ethoxybenzoyl)-1,4-diazepane-1-carbonyl]phenyl]acetamide (CID 108545962) is N-[3-[4-(4-ethoxybenzoyl)-1,4-diazepane-1-carbonyl]phenyl]acetamide.
What is the SMILES notation for N-[3-[4-(4-ethoxybenzoyl)-1,4-diazepane-1-carbonyl]phenyl]acetamide?
The canonical SMILES for N-[3-[4-(4-ethoxybenzoyl)-1,4-diazepane-1-carbonyl]phenyl]acetamide is CCOc1ccc(C(=O)N2CCCN(C(=O)c3cccc(NC(C)=O)c3)CC2)cc1.
What is the InChIKey of N-[3-[4-(4-ethoxybenzoyl)-1,4-diazepane-1-carbonyl]phenyl]acetamide?
The InChIKey is KQNBSYFFWPDXOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O4/c1-3-30-21-10-8-18(9-11-21)22(28)25-12-5-13-26(15-14-25)23(29)19-6-4-7-20(16-19)24-17(2)27/h4,6-11,16H,3,5,12-15H2,1-2H3,(H,24,27).
What are the key properties of N-[3-[4-(4-ethoxybenzoyl)-1,4-diazepane-1-carbonyl]phenyl]acetamide?
N-[3-[4-(4-ethoxybenzoyl)-1,4-diazepane-1-carbonyl]phenyl]acetamide has a molecular weight of 409.49 g/mol, XLogP of 3.03, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-(4-ethoxybenzoyl)-1,4-diazepane-1-carbonyl]phenyl]acetamide is sourced from PubChem (CID 108545962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).