N-(4-methoxyphenyl)-2-(12-oxo-10,13-diazatricyclo[7.4.1.05,14]tetradeca-1,3,5(14),6,8-pentaen-11-yl)acetamide

C21H19N3O3 — CID 2963467

IUPACN-(4-methoxyphenyl)-2-(12-oxo-10,13-diazatricyclo[7.4.1.05,14]tetradeca-1,3,5(14),6,8-pentaen-11-yl)acetamide
SMILESCOc1ccc(NC(=O)CC2Nc3cccc4cccc(c34)NC2=O)cc1
InChIInChI=1S/C21H19N3O3/c1-27-15-10-8-14(9-11-15)22-19(25)12-18-21(26)24-17-7-3-5-13-4-2-6-16(23-18)20(13)17/h2-11,18,23H,12H2,1H3,(H,22,25)(H,24,26)
InChIKeyBQQIHAGUYKMXAT-UHFFFAOYSA-N
MW361.40 g/mol
LogP3.61
Rot. Bonds4

About N-(4-methoxyphenyl)-2-(12-oxo-10,13-diazatricyclo[7.4.1.05,14]tetradeca-1,3,5(14),6,8-pentaen-11-yl)acetamide

N-(4-methoxyphenyl)-2-(12-oxo-10,13-diazatricyclo[7.4.1.05,14]tetradeca-1,3,5(14),6,8-pentaen-11-yl)acetamide (PubChem CID 2963467) has the molecular formula C21H19N3O3 and a molecular weight of 361.40 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-2-(12-oxo-10,13-diazatricyclo[7.4.1.05,14]tetradeca-1,3,5(14),6,8-pentaen-11-yl)acetamide.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-2-(12-oxo-10,13-diazatricyclo[7.4.1.05,14]tetradeca-1,3,5(14),6,8-pentaen-11-yl)acetamide
PubChem CID2963467
Molecular FormulaC21H19N3O3
Molecular Weight361.40 g/mol
Exact Mass361.14
IUPAC NameN-(4-methoxyphenyl)-2-(12-oxo-10,13-diazatricyclo[7.4.1.05,14]tetradeca-1,3,5(14),6,8-pentaen-11-yl)acetamide
SMILESCOc1ccc(NC(=O)CC2Nc3cccc4cccc(c34)NC2=O)cc1
InChIInChI=1S/C21H19N3O3/c1-27-15-10-8-14(9-11-15)22-19(25)12-18-21(26)24-17-7-3-5-13-4-2-6-16(23-18)20(13)17/h2-11,18,23H,12H2,1H3,(H,22,25)(H,24,26)
InChIKeyBQQIHAGUYKMXAT-UHFFFAOYSA-N
XLogP3.61
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.40
LogP ≤ 53.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze N-(4-methoxyphenyl)-2-(12-oxo-10,13-diazatricyclo[7.4.1.05,14]tetradeca-1,3,5(14),6,8-pentaen-11-yl)acetamide with MolForge

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Related Compounds

N-(2-methoxyphenyl)-2-[methyl-[2-(naphthalen-1-ylamino)-2-oxoethyl]amino]propanamide;hydrochloride
CID 16247486
2-[(4-methoxyphenyl)methyl-methylamino]-N-naphthalen-1-ylpropanamide
CID 16318694
3-[(3,4-Dimethyl-phenylamino)-methyl]-6-methoxy-quinolin-2-ol
CID 939029
N-[(2S)-1-(4-methoxyanilino)pentan-2-yl]-1-(3-phenylanilino)cyclohexane-1-carboxamide
CID 9913263
(2S)-N-[(2S)-1-(4-methoxyanilino)butan-2-yl]-4-methyl-2-(3-phenylanilino)pentanamide
CID 10253693
N-[(2S)-1-(4-methoxyanilino)butan-2-yl]-1-(3-phenylanilino)cyclohexane-1-carboxamide
CID 10367515
(2S)-N-[(2S)-1-(4-methoxyanilino)propan-2-yl]-4-methyl-2-(3-phenylanilino)pentanamide
CID 44408680
N-[(2R)-1-(4-methoxyanilino)propan-2-yl]-1-(3-phenylanilino)cyclohexane-1-carboxamide
CID 44408912
N-[(2S)-1-(4-methoxyanilino)propan-2-yl]-1-(3-phenylanilino)cyclohexane-1-carboxamide
CID 44408945
2-(4-methoxy-N-methylsulfonylanilino)-N-naphthalen-1-ylacetamide
CID 999803
1-(4-Methoxyphenyl)-3-[4-(1,2,3,4-tetrahydro-2-naphthalenyl)-1-piperazinyl]-2,5-pyrrolidinedione
CID 2927499
2-[(ethylsulfonyl)(4-methoxyphenyl)amino]-N-naphthylacetamide
CID 3436561

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-2-(12-oxo-10,13-diazatricyclo[7.4.1.05,14]tetradeca-1,3,5(14),6,8-pentaen-11-yl)acetamide?
The IUPAC name of N-(4-methoxyphenyl)-2-(12-oxo-10,13-diazatricyclo[7.4.1.05,14]tetradeca-1,3,5(14),6,8-pentaen-11-yl)acetamide (CID 2963467) is N-(4-methoxyphenyl)-2-(12-oxo-10,13-diazatricyclo[7.4.1.05,14]tetradeca-1,3,5(14),6,8-pentaen-11-yl)acetamide.
What is the SMILES notation for N-(4-methoxyphenyl)-2-(12-oxo-10,13-diazatricyclo[7.4.1.05,14]tetradeca-1,3,5(14),6,8-pentaen-11-yl)acetamide?
The canonical SMILES for N-(4-methoxyphenyl)-2-(12-oxo-10,13-diazatricyclo[7.4.1.05,14]tetradeca-1,3,5(14),6,8-pentaen-11-yl)acetamide is COc1ccc(NC(=O)CC2Nc3cccc4cccc(c34)NC2=O)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-2-(12-oxo-10,13-diazatricyclo[7.4.1.05,14]tetradeca-1,3,5(14),6,8-pentaen-11-yl)acetamide?
The InChIKey is BQQIHAGUYKMXAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O3/c1-27-15-10-8-14(9-11-15)22-19(25)12-18-21(26)24-17-7-3-5-13-4-2-6-16(23-18)20(13)17/h2-11,18,23H,12H2,1H3,(H,22,25)(H,24,26).
What are the key properties of N-(4-methoxyphenyl)-2-(12-oxo-10,13-diazatricyclo[7.4.1.05,14]tetradeca-1,3,5(14),6,8-pentaen-11-yl)acetamide?
N-(4-methoxyphenyl)-2-(12-oxo-10,13-diazatricyclo[7.4.1.05,14]tetradeca-1,3,5(14),6,8-pentaen-11-yl)acetamide has a molecular weight of 361.40 g/mol, XLogP of 3.61, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-2-(12-oxo-10,13-diazatricyclo[7.4.1.05,14]tetradeca-1,3,5(14),6,8-pentaen-11-yl)acetamide is sourced from PubChem (CID 2963467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).