2-butoxy-N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)carbamoyl]benzamide;hydrochloride

C20H30ClN3O3 — CID 45259898

IUPAC2-butoxy-N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)carbamoyl]benzamide;hydrochloride
SMILESCCCCOc1ccccc1C(=O)NC(=O)NC1CC2CCC(C1)N2C.Cl
InChIInChI=1S/C20H29N3O3.ClH/c1-3-4-11-26-18-8-6-5-7-17(18)19(24)22-20(25)21-14-12-15-9-10-16(13-14)23(15)2;/h5-8,14-16H,3-4,9-13H2,1-2H3,(H2,21,22,24,25);1H
InChIKeyIDVPAENZXSXZQO-UHFFFAOYSA-N
MW395.93 g/mol
LogP3.35
Rot. Bonds6

About 2-butoxy-N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)carbamoyl]benzamide;hydrochloride

2-butoxy-N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)carbamoyl]benzamide;hydrochloride (PubChem CID 45259898) has the molecular formula C20H30ClN3O3 and a molecular weight of 395.93 g/mol. Its IUPAC name is 2-butoxy-N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)carbamoyl]benzamide;hydrochloride.

Molecular Properties

Compound Name2-butoxy-N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)carbamoyl]benzamide;hydrochloride
PubChem CID45259898
Molecular FormulaC20H30ClN3O3
Molecular Weight395.93 g/mol
Exact Mass395.20
IUPAC Name2-butoxy-N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)carbamoyl]benzamide;hydrochloride
SMILESCCCCOc1ccccc1C(=O)NC(=O)NC1CC2CCC(C1)N2C.Cl
InChIInChI=1S/C20H29N3O3.ClH/c1-3-4-11-26-18-8-6-5-7-17(18)19(24)22-20(25)21-14-12-15-9-10-16(13-14)23(15)2;/h5-8,14-16H,3-4,9-13H2,1-2H3,(H2,21,22,24,25);1H
InChIKeyIDVPAENZXSXZQO-UHFFFAOYSA-N
XLogP3.35
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.93
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-butoxy-N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)carbamoyl]benzamide;hydrochloride 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

Iodopride
CID 3082754
N-[3-(dimethylamino)propyl]-2-phenoxybenzamide
CID 1928169
2-ethoxy-N-{2-[(2-ethoxybenzoyl)amino]ethyl}benzamide
CID 1769368
N-(1-Ethyl-pyrrolidin-2-ylmethyl)-5-iodo-2-methoxy-benzamide
CID 9977544
(Z)-but-2-enedioic acid;N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)carbamoyl]-2-propan-2-yloxybenzamide
CID 44285206
N-(1-benzyl-4-piperidinyl)-2,2-dimethyl-2,3-dihydro-1-benzofuran-7-carboxamide
CID 2738398
N-(2,4-Dioxo-1,2,3,4-tetrahydro-pyrimidin-5-yl)-2-ethoxy-benzamide
CID 3161227
N-(1-benzylpiperidin-4-yl)-2-ethoxybenzamide
CID 8181355
N-(8-Benzyl-8-aza-bicyclo[3.2.1]oct-3-yl)-2,3-dimethoxy-benzamide
CID 3065828
(S)-N-(cyclobutylmethyl)-2-phenoxy-N-(pyrrolidin-3-yl)benzamide
CID 11501191
(S)-N-ethyl-2-phenoxy-N-(pyrrolidin-3-yl)benzamide
CID 11559300
(S)-N-isobutyl-2-phenoxy-N-(pyrrolidin-3-yl)benzamide
CID 11566266

Frequently Asked Questions

What is the IUPAC name of 2-butoxy-N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)carbamoyl]benzamide;hydrochloride?
The IUPAC name of 2-butoxy-N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)carbamoyl]benzamide;hydrochloride (CID 45259898) is 2-butoxy-N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)carbamoyl]benzamide;hydrochloride.
What is the SMILES notation for 2-butoxy-N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)carbamoyl]benzamide;hydrochloride?
The canonical SMILES for 2-butoxy-N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)carbamoyl]benzamide;hydrochloride is CCCCOc1ccccc1C(=O)NC(=O)NC1CC2CCC(C1)N2C.Cl.
What is the InChIKey of 2-butoxy-N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)carbamoyl]benzamide;hydrochloride?
The InChIKey is IDVPAENZXSXZQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O3.ClH/c1-3-4-11-26-18-8-6-5-7-17(18)19(24)22-20(25)21-14-12-15-9-10-16(13-14)23(15)2;/h5-8,14-16H,3-4,9-13H2,1-2H3,(H2,21,22,24,25);1H.
What are the key properties of 2-butoxy-N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)carbamoyl]benzamide;hydrochloride?
2-butoxy-N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)carbamoyl]benzamide;hydrochloride has a molecular weight of 395.93 g/mol, XLogP of 3.35, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butoxy-N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)carbamoyl]benzamide;hydrochloride is sourced from PubChem (CID 45259898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).