N-(3-amino-3-oxopropyl)-N-(3-methylphenyl)-5-oxo-6,7,8,9-tetrahydrobenzo[7]annulene-2-carboxamide

C22H24N2O3 — CID 154862063

IUPACN-(3-amino-3-oxopropyl)-N-(3-methylphenyl)-5-oxo-6,7,8,9-tetrahydrobenzo[7]annulene-2-carboxamide
SMILESCc1cccc(N(CCC(N)=O)C(=O)c2ccc3c(c2)CCCCC3=O)c1
InChIInChI=1S/C22H24N2O3/c1-15-5-4-7-18(13-15)24(12-11-21(23)26)22(27)17-9-10-19-16(14-17)6-2-3-8-20(19)25/h4-5,7,9-10,13-14H,2-3,6,8,11-12H2,1H3,(H2,23,26)
InChIKeyPZSUVAMHXNIIAL-UHFFFAOYSA-N
MW364.45 g/mol
LogP3.43
Rot. Bonds5

About N-(3-amino-3-oxopropyl)-N-(3-methylphenyl)-5-oxo-6,7,8,9-tetrahydrobenzo[7]annulene-2-carboxamide

N-(3-amino-3-oxopropyl)-N-(3-methylphenyl)-5-oxo-6,7,8,9-tetrahydrobenzo[7]annulene-2-carboxamide (PubChem CID 154862063) has the molecular formula C22H24N2O3 and a molecular weight of 364.45 g/mol. Its IUPAC name is N-(3-amino-3-oxopropyl)-N-(3-methylphenyl)-5-oxo-6,7,8,9-tetrahydrobenzo[7]annulene-2-carboxamide.

Molecular Properties

Compound NameN-(3-amino-3-oxopropyl)-N-(3-methylphenyl)-5-oxo-6,7,8,9-tetrahydrobenzo[7]annulene-2-carboxamide
PubChem CID154862063
Molecular FormulaC22H24N2O3
Molecular Weight364.45 g/mol
Exact Mass364.18
IUPAC NameN-(3-amino-3-oxopropyl)-N-(3-methylphenyl)-5-oxo-6,7,8,9-tetrahydrobenzo[7]annulene-2-carboxamide
SMILESCc1cccc(N(CCC(N)=O)C(=O)c2ccc3c(c2)CCCCC3=O)c1
InChIInChI=1S/C22H24N2O3/c1-15-5-4-7-18(13-15)24(12-11-21(23)26)22(27)17-9-10-19-16(14-17)6-2-3-8-20(19)25/h4-5,7,9-10,13-14H,2-3,6,8,11-12H2,1H3,(H2,23,26)
InChIKeyPZSUVAMHXNIIAL-UHFFFAOYSA-N
XLogP3.43
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(3-amino-3-oxopropyl)-N-(3-methylphenyl)-5-oxo-6,7,8,9-tetrahydrobenzo[7]annulene-2-carboxamide with MolForge

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Related Compounds

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N-(2-hydroxyethyl)-N-(3-methylphenyl)benzamide
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N-(3-amino-3-oxopropyl)-N-(3-methylphenyl)piperidine-3-carboxamide;hydrochloride
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6-acetyl-3,4-dihydro-2H-naphthalen-1-one
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2-(N-[3-(aminomethyl)benzoyl]anilino)acetic acid;1-oxo-2,3-dihydroindene-5-carboxamide
CID 70091148
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N-ethyl-N-(3-methylphenyl)-4-(piperidine-1-carbonyl)benzamide
CID 109044713

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-3-oxopropyl)-N-(3-methylphenyl)-5-oxo-6,7,8,9-tetrahydrobenzo[7]annulene-2-carboxamide?
The IUPAC name of N-(3-amino-3-oxopropyl)-N-(3-methylphenyl)-5-oxo-6,7,8,9-tetrahydrobenzo[7]annulene-2-carboxamide (CID 154862063) is N-(3-amino-3-oxopropyl)-N-(3-methylphenyl)-5-oxo-6,7,8,9-tetrahydrobenzo[7]annulene-2-carboxamide.
What is the SMILES notation for N-(3-amino-3-oxopropyl)-N-(3-methylphenyl)-5-oxo-6,7,8,9-tetrahydrobenzo[7]annulene-2-carboxamide?
The canonical SMILES for N-(3-amino-3-oxopropyl)-N-(3-methylphenyl)-5-oxo-6,7,8,9-tetrahydrobenzo[7]annulene-2-carboxamide is Cc1cccc(N(CCC(N)=O)C(=O)c2ccc3c(c2)CCCCC3=O)c1.
What is the InChIKey of N-(3-amino-3-oxopropyl)-N-(3-methylphenyl)-5-oxo-6,7,8,9-tetrahydrobenzo[7]annulene-2-carboxamide?
The InChIKey is PZSUVAMHXNIIAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O3/c1-15-5-4-7-18(13-15)24(12-11-21(23)26)22(27)17-9-10-19-16(14-17)6-2-3-8-20(19)25/h4-5,7,9-10,13-14H,2-3,6,8,11-12H2,1H3,(H2,23,26).
What are the key properties of N-(3-amino-3-oxopropyl)-N-(3-methylphenyl)-5-oxo-6,7,8,9-tetrahydrobenzo[7]annulene-2-carboxamide?
N-(3-amino-3-oxopropyl)-N-(3-methylphenyl)-5-oxo-6,7,8,9-tetrahydrobenzo[7]annulene-2-carboxamide has a molecular weight of 364.45 g/mol, XLogP of 3.43, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-3-oxopropyl)-N-(3-methylphenyl)-5-oxo-6,7,8,9-tetrahydrobenzo[7]annulene-2-carboxamide is sourced from PubChem (CID 154862063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).