N-[17-(3-aminopropyl)-17-azapentacyclo[7.5.3.210,14.01,10.02,7]nonadeca-2,4,6-trien-13-yl]-N-methylbenzamide

C29H37N3O — CID 135244222

IUPACN-[17-(3-aminopropyl)-17-azapentacyclo[7.5.3.210,14.01,10.02,7]nonadeca-2,4,6-trien-13-yl]-N-methylbenzamide
SMILESCN(C(=O)c1ccccc1)C1CCC23CCC1C21CCN(CCCN)C3Cc2ccccc21
InChIInChI=1S/C29H37N3O/c1-31(27(33)21-8-3-2-4-9-21)25-13-15-28-14-12-24(25)29(28)16-19-32(18-7-17-30)26(28)20-22-10-5-6-11-23(22)29/h2-6,8-11,24-26H,7,12-20,30H2,1H3
InChIKeyULFHYUVZGRBEJH-UHFFFAOYSA-N
MW443.64 g/mol
LogP4.23
Rot. Bonds5

About N-[17-(3-aminopropyl)-17-azapentacyclo[7.5.3.210,14.01,10.02,7]nonadeca-2,4,6-trien-13-yl]-N-methylbenzamide

N-[17-(3-aminopropyl)-17-azapentacyclo[7.5.3.210,14.01,10.02,7]nonadeca-2,4,6-trien-13-yl]-N-methylbenzamide (PubChem CID 135244222) has the molecular formula C29H37N3O and a molecular weight of 443.64 g/mol. Its IUPAC name is N-[17-(3-aminopropyl)-17-azapentacyclo[7.5.3.210,14.01,10.02,7]nonadeca-2,4,6-trien-13-yl]-N-methylbenzamide.

Molecular Properties

Compound NameN-[17-(3-aminopropyl)-17-azapentacyclo[7.5.3.210,14.01,10.02,7]nonadeca-2,4,6-trien-13-yl]-N-methylbenzamide
PubChem CID135244222
Molecular FormulaC29H37N3O
Molecular Weight443.64 g/mol
Exact Mass443.29
IUPAC NameN-[17-(3-aminopropyl)-17-azapentacyclo[7.5.3.210,14.01,10.02,7]nonadeca-2,4,6-trien-13-yl]-N-methylbenzamide
SMILESCN(C(=O)c1ccccc1)C1CCC23CCC1C21CCN(CCCN)C3Cc2ccccc21
InChIInChI=1S/C29H37N3O/c1-31(27(33)21-8-3-2-4-9-21)25-13-15-28-14-12-24(25)29(28)16-19-32(18-7-17-30)26(28)20-22-10-5-6-11-23(22)29/h2-6,8-11,24-26H,7,12-20,30H2,1H3
InChIKeyULFHYUVZGRBEJH-UHFFFAOYSA-N
XLogP4.23
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.64
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[17-(3-aminopropyl)-17-azapentacyclo[7.5.3.210,14.01,10.02,7]nonadeca-2,4,6-trien-13-yl]-N-methylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[17-(3-fluoropropyl)-4-hydroxy-17-azapentacyclo[7.5.3.210,14.01,10.02,7]nonadeca-2(7),3,5-trien-13-yl]benzamide
CID 126694555
N-[17-(cyclopropylmethyl)-4-hydroxy-17-azapentacyclo[7.5.3.210,14.01,10.02,7]nonadeca-2(7),3,5-trien-13-yl]-1-ethyl-N-methyl-6-oxopyridine-2-carboxamide
CID 134414927
17-(cyclopropylmethyl)-13-(dimethylamino)-17-azapentacyclo[7.5.3.210,14.01,10.02,7]nonadeca-2(7),3,5-trien-4-ol
CID 134189176
N-[17-(cyclopropylmethyl)-4-hydroxy-17-azapentacyclo[7.5.3.210,14.01,10.02,7]nonadeca-2(7),3,5-trien-13-yl]-N-methyl-2,4-dioxo-1H-pyrimidine-5-carboxamide
CID 134189186
N-[(18S)-17-(cyclopropylmethyl)-4-hydroxy-18-methyl-17-azapentacyclo[7.5.3.210,14.01,10.02,7]nonadeca-2(7),3,5-trien-13-yl]-1-hydroxy-N-methylpyridin-1-ium-3-carboxamide
CID 170255034
[(1R,2S,3S,6R,9S,10R)-20-(2-aminoethyl)-15-hydroxy-5,20-diazahexacyclo[8.7.3.13,9.01,9.02,6.012,17]henicosa-12(17),13,15-trien-5-yl]-phenylmethanone
CID 129013675
N-[(4S,4aS,7S,7aR,12bS)-3-(cyclopropylmethyl)-4a,9-dihydroxy-1,2,4,5,6,7,7a,13-octahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-yl]-N-methylbenzamide
CID 59933949
N-[1-amino-10-(cyclopropylmethyl)-4-hydroxy-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-13-yl]-N-methylbenzamide
CID 123608473
N-[17-[2-(1,2-dihydropyridin-3-yl)ethyl]-4-hydroxy-17-azapentacyclo[7.5.3.210,14.01,10.02,7]nonadeca-2(7),3,5-trien-13-yl]benzamide
CID 126694617
N-[3-(cyclopropylmethyl)-6-(2-ethyl-5-hydroxyphenyl)-2-methyl-3-azatricyclo[5.3.2.01,6]dodecan-8-yl]-N-methyl-6-oxo-1H-pyridine-3-carboxamide
CID 139332621
[(1R,2S,3S,6R,9S,10R)-20-(cyclopropylmethyl)-3-hydroxy-5,20-diazahexacyclo[8.7.3.13,9.01,9.02,6.012,17]henicosa-12,14,16-trien-5-yl]-(1-oxidopyridin-1-ium-3-yl)methanone
CID 146217416
N-[(3R,4R)-4-[benzoyl(methyl)amino]-1,1-dioxothiolan-3-yl]-N-methylbenzamide
CID 100825376

Frequently Asked Questions

What is the IUPAC name of N-[17-(3-aminopropyl)-17-azapentacyclo[7.5.3.210,14.01,10.02,7]nonadeca-2,4,6-trien-13-yl]-N-methylbenzamide?
The IUPAC name of N-[17-(3-aminopropyl)-17-azapentacyclo[7.5.3.210,14.01,10.02,7]nonadeca-2,4,6-trien-13-yl]-N-methylbenzamide (CID 135244222) is N-[17-(3-aminopropyl)-17-azapentacyclo[7.5.3.210,14.01,10.02,7]nonadeca-2,4,6-trien-13-yl]-N-methylbenzamide.
What is the SMILES notation for N-[17-(3-aminopropyl)-17-azapentacyclo[7.5.3.210,14.01,10.02,7]nonadeca-2,4,6-trien-13-yl]-N-methylbenzamide?
The canonical SMILES for N-[17-(3-aminopropyl)-17-azapentacyclo[7.5.3.210,14.01,10.02,7]nonadeca-2,4,6-trien-13-yl]-N-methylbenzamide is CN(C(=O)c1ccccc1)C1CCC23CCC1C21CCN(CCCN)C3Cc2ccccc21.
What is the InChIKey of N-[17-(3-aminopropyl)-17-azapentacyclo[7.5.3.210,14.01,10.02,7]nonadeca-2,4,6-trien-13-yl]-N-methylbenzamide?
The InChIKey is ULFHYUVZGRBEJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H37N3O/c1-31(27(33)21-8-3-2-4-9-21)25-13-15-28-14-12-24(25)29(28)16-19-32(18-7-17-30)26(28)20-22-10-5-6-11-23(22)29/h2-6,8-11,24-26H,7,12-20,30H2,1H3.
What are the key properties of N-[17-(3-aminopropyl)-17-azapentacyclo[7.5.3.210,14.01,10.02,7]nonadeca-2,4,6-trien-13-yl]-N-methylbenzamide?
N-[17-(3-aminopropyl)-17-azapentacyclo[7.5.3.210,14.01,10.02,7]nonadeca-2,4,6-trien-13-yl]-N-methylbenzamide has a molecular weight of 443.64 g/mol, XLogP of 4.23, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[17-(3-aminopropyl)-17-azapentacyclo[7.5.3.210,14.01,10.02,7]nonadeca-2,4,6-trien-13-yl]-N-methylbenzamide is sourced from PubChem (CID 135244222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).