2-(azepan-1-yl)-N-[3-[[2-(9-oxoacridin-10-yl)acetyl]amino]phenyl]acetamide

C29H30N4O3 — CID 60622690

IUPAC2-(azepan-1-yl)-N-[3-[[2-(9-oxoacridin-10-yl)acetyl]amino]phenyl]acetamide
SMILESO=C(CN1CCCCCC1)Nc1cccc(NC(=O)Cn2c3ccccc3c(=O)c3ccccc32)c1
InChIInChI=1S/C29H30N4O3/c34-27(19-32-16-7-1-2-8-17-32)30-21-10-9-11-22(18-21)31-28(35)20-33-25-14-5-3-12-23(25)29(36)24-13-4-6-15-26(24)33/h3-6,9-15,18H,1-2,7-8,16-17,19-20H2,(H,30,34)(H,31,35)
InChIKeyIUVIPVKAFCUIBD-UHFFFAOYSA-N
MW482.58 g/mol
LogP4.61
Rot. Bonds6

About 2-(azepan-1-yl)-N-[3-[[2-(9-oxoacridin-10-yl)acetyl]amino]phenyl]acetamide

2-(azepan-1-yl)-N-[3-[[2-(9-oxoacridin-10-yl)acetyl]amino]phenyl]acetamide (PubChem CID 60622690) has the molecular formula C29H30N4O3 and a molecular weight of 482.58 g/mol. Its IUPAC name is 2-(azepan-1-yl)-N-[3-[[2-(9-oxoacridin-10-yl)acetyl]amino]phenyl]acetamide.

Molecular Properties

Compound Name2-(azepan-1-yl)-N-[3-[[2-(9-oxoacridin-10-yl)acetyl]amino]phenyl]acetamide
PubChem CID60622690
Molecular FormulaC29H30N4O3
Molecular Weight482.58 g/mol
Exact Mass482.23
IUPAC Name2-(azepan-1-yl)-N-[3-[[2-(9-oxoacridin-10-yl)acetyl]amino]phenyl]acetamide
SMILESO=C(CN1CCCCCC1)Nc1cccc(NC(=O)Cn2c3ccccc3c(=O)c3ccccc32)c1
InChIInChI=1S/C29H30N4O3/c34-27(19-32-16-7-1-2-8-17-32)30-21-10-9-11-22(18-21)31-28(35)20-33-25-14-5-3-12-23(25)29(36)24-13-4-6-15-26(24)33/h3-6,9-15,18H,1-2,7-8,16-17,19-20H2,(H,30,34)(H,31,35)
InChIKeyIUVIPVKAFCUIBD-UHFFFAOYSA-N
XLogP4.61
TPSA83.44 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.58
LogP ≤ 54.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

N-(3-chlorophenyl)-2-(9-oxoacridin-10-yl)acetamide
CID 15991917
N-[3-[[2-(azepan-1-yl)acetyl]amino]phenyl]propanamide
CID 54814595
2-(3-chloro-9-oxoacridin-10-yl)-N-(3-chlorophenyl)acetamide
CID 22330394
3-[[2-(azepan-1-yl)acetyl]amino]benzamide
CID 54814769
N,N-dimethyl-3-[[2-(9-oxoacridin-10-yl)acetyl]amino]benzamide
CID 51339146
2-(9-oxoacridin-10-yl)-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]acetamide
CID 16622190
2-(azepan-1-yl)-N-(3-bromophenyl)acetamide
CID 2958639
2-(azocan-1-yl)-N-(3-methylphenyl)acetamide
CID 2655272
N-[3-(1,3-dioxoisoindol-2-yl)phenyl]-2-pyrrolidin-1-ylacetamide
CID 168518228
N-[3-[[2-(azepan-1-yl)acetyl]amino]phenyl]-3-phenylpropanamide
CID 54814565
2-(3-ethyl-2,4-dioxoquinazolin-1-yl)-N-[3-(piperidin-1-ylmethyl)phenyl]acetamide
CID 38842169
2-(2-methoxy-9-oxoacridin-10-yl)-N-(3-methoxyphenyl)acetamide
CID 15992736

Frequently Asked Questions

What is the IUPAC name of 2-(azepan-1-yl)-N-[3-[[2-(9-oxoacridin-10-yl)acetyl]amino]phenyl]acetamide?
The IUPAC name of 2-(azepan-1-yl)-N-[3-[[2-(9-oxoacridin-10-yl)acetyl]amino]phenyl]acetamide (CID 60622690) is 2-(azepan-1-yl)-N-[3-[[2-(9-oxoacridin-10-yl)acetyl]amino]phenyl]acetamide.
What is the SMILES notation for 2-(azepan-1-yl)-N-[3-[[2-(9-oxoacridin-10-yl)acetyl]amino]phenyl]acetamide?
The canonical SMILES for 2-(azepan-1-yl)-N-[3-[[2-(9-oxoacridin-10-yl)acetyl]amino]phenyl]acetamide is O=C(CN1CCCCCC1)Nc1cccc(NC(=O)Cn2c3ccccc3c(=O)c3ccccc32)c1.
What is the InChIKey of 2-(azepan-1-yl)-N-[3-[[2-(9-oxoacridin-10-yl)acetyl]amino]phenyl]acetamide?
The InChIKey is IUVIPVKAFCUIBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H30N4O3/c34-27(19-32-16-7-1-2-8-17-32)30-21-10-9-11-22(18-21)31-28(35)20-33-25-14-5-3-12-23(25)29(36)24-13-4-6-15-26(24)33/h3-6,9-15,18H,1-2,7-8,16-17,19-20H2,(H,30,34)(H,31,35).
What are the key properties of 2-(azepan-1-yl)-N-[3-[[2-(9-oxoacridin-10-yl)acetyl]amino]phenyl]acetamide?
2-(azepan-1-yl)-N-[3-[[2-(9-oxoacridin-10-yl)acetyl]amino]phenyl]acetamide has a molecular weight of 482.58 g/mol, XLogP of 4.61, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azepan-1-yl)-N-[3-[[2-(9-oxoacridin-10-yl)acetyl]amino]phenyl]acetamide is sourced from PubChem (CID 60622690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).