2-(3-aminopropoxy)-3-methoxy-N-[1-(5-methyl-1H-imidazol-2-yl)ethyl]benzamide

C17H24N4O3 — CID 118762255

IUPAC2-(3-aminopropoxy)-3-methoxy-N-[1-(5-methyl-1H-imidazol-2-yl)ethyl]benzamide
SMILESCOc1cccc(C(=O)NC(C)c2ncc(C)[nH]2)c1OCCCN
InChIInChI=1S/C17H24N4O3/c1-11-10-19-16(20-11)12(2)21-17(22)13-6-4-7-14(23-3)15(13)24-9-5-8-18/h4,6-7,10,12H,5,8-9,18H2,1-3H3,(H,19,20)(H,21,22)
InChIKeyPJSUTLAJBTYVOW-UHFFFAOYSA-N
MW332.40 g/mol
LogP1.95
Rot. Bonds8

About 2-(3-aminopropoxy)-3-methoxy-N-[1-(5-methyl-1H-imidazol-2-yl)ethyl]benzamide

2-(3-aminopropoxy)-3-methoxy-N-[1-(5-methyl-1H-imidazol-2-yl)ethyl]benzamide (PubChem CID 118762255) has the molecular formula C17H24N4O3 and a molecular weight of 332.40 g/mol. Its IUPAC name is 2-(3-aminopropoxy)-3-methoxy-N-[1-(5-methyl-1H-imidazol-2-yl)ethyl]benzamide.

Molecular Properties

Compound Name2-(3-aminopropoxy)-3-methoxy-N-[1-(5-methyl-1H-imidazol-2-yl)ethyl]benzamide
PubChem CID118762255
Molecular FormulaC17H24N4O3
Molecular Weight332.40 g/mol
Exact Mass332.18
IUPAC Name2-(3-aminopropoxy)-3-methoxy-N-[1-(5-methyl-1H-imidazol-2-yl)ethyl]benzamide
SMILESCOc1cccc(C(=O)NC(C)c2ncc(C)[nH]2)c1OCCCN
InChIInChI=1S/C17H24N4O3/c1-11-10-19-16(20-11)12(2)21-17(22)13-6-4-7-14(23-3)15(13)24-9-5-8-18/h4,6-7,10,12H,5,8-9,18H2,1-3H3,(H,19,20)(H,21,22)
InChIKeyPJSUTLAJBTYVOW-UHFFFAOYSA-N
XLogP1.95
TPSA102.26 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 51.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-(3-aminopropoxy)-3-methoxy-N-[1-(5-methyl-1H-imidazol-2-yl)ethyl]benzamide 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

2-(3-aminopropoxy)-3-methoxy-N-[1-(6-methyl-3-pyridinyl)ethyl]benzamide
CID 118787115
2-(3-aminopropoxy)-3-methoxy-N-[(1S)-1-(6-methyl-2-pyridinyl)ethyl]benzamide
CID 125170184
2-(3-aminopropoxy)-3-methoxy-N-(1-thiophen-3-ylethyl)benzamide
CID 118790837
6-amino-N-[1-(5-methyl-1H-imidazol-2-yl)ethyl]pyridine-2-carboxamide
CID 122572343
3-(2,6-dimethoxyphenoxy)propan-1-amine
CID 14025832
N-[4-amino-1-(5-phenyl-1H-imidazol-2-yl)butyl]-2-methoxybenzamide
CID 170342320
3-methyl-N-[(1R)-1-(5-methyl-1H-imidazol-2-yl)ethyl]-1-propylpyrazole-4-carboxamide
CID 125436634
N-[(1R)-1-(4-tert-butylphenyl)ethyl]-2,3-dimethoxybenzamide
CID 95601254
2,3-dimethoxy-N-[1-(5-methylfuran-2-yl)ethyl]benzamide
CID 51187767
4-[2-(3-aminopropoxy)-3-methoxybenzoyl]-1,4-diazepan-2-one
CID 118770092
3-amino-2-methoxy-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]benzamide
CID 106387458
2-(3-aminopropoxy)-3-methoxy-N-methyl-N-(2,2,2-trifluoroethyl)benzamide
CID 118774344

Frequently Asked Questions

What is the IUPAC name of 2-(3-aminopropoxy)-3-methoxy-N-[1-(5-methyl-1H-imidazol-2-yl)ethyl]benzamide?
The IUPAC name of 2-(3-aminopropoxy)-3-methoxy-N-[1-(5-methyl-1H-imidazol-2-yl)ethyl]benzamide (CID 118762255) is 2-(3-aminopropoxy)-3-methoxy-N-[1-(5-methyl-1H-imidazol-2-yl)ethyl]benzamide.
What is the SMILES notation for 2-(3-aminopropoxy)-3-methoxy-N-[1-(5-methyl-1H-imidazol-2-yl)ethyl]benzamide?
The canonical SMILES for 2-(3-aminopropoxy)-3-methoxy-N-[1-(5-methyl-1H-imidazol-2-yl)ethyl]benzamide is COc1cccc(C(=O)NC(C)c2ncc(C)[nH]2)c1OCCCN.
What is the InChIKey of 2-(3-aminopropoxy)-3-methoxy-N-[1-(5-methyl-1H-imidazol-2-yl)ethyl]benzamide?
The InChIKey is PJSUTLAJBTYVOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O3/c1-11-10-19-16(20-11)12(2)21-17(22)13-6-4-7-14(23-3)15(13)24-9-5-8-18/h4,6-7,10,12H,5,8-9,18H2,1-3H3,(H,19,20)(H,21,22).
What are the key properties of 2-(3-aminopropoxy)-3-methoxy-N-[1-(5-methyl-1H-imidazol-2-yl)ethyl]benzamide?
2-(3-aminopropoxy)-3-methoxy-N-[1-(5-methyl-1H-imidazol-2-yl)ethyl]benzamide has a molecular weight of 332.40 g/mol, XLogP of 1.95, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminopropoxy)-3-methoxy-N-[1-(5-methyl-1H-imidazol-2-yl)ethyl]benzamide is sourced from PubChem (CID 118762255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).