2-(3-aminopropoxy)-4-methyl-N-[(1S)-1-(1-methylpyrazol-4-yl)propyl]benzamide

C18H26N4O2 — CID 125179193

IUPAC2-(3-aminopropoxy)-4-methyl-N-[(1S)-1-(1-methylpyrazol-4-yl)propyl]benzamide
SMILESCC[C@H](NC(=O)c1ccc(C)cc1OCCCN)c1cnn(C)c1
InChIInChI=1S/C18H26N4O2/c1-4-16(14-11-20-22(3)12-14)21-18(23)15-7-6-13(2)10-17(15)24-9-5-8-19/h6-7,10-12,16H,4-5,8-9,19H2,1-3H3,(H,21,23)/t16-/m0/s1
InChIKeyYEIJSUAEOWORAM-INIZCTEOSA-N
MW330.43 g/mol
LogP2.34
Rot. Bonds8

About 2-(3-aminopropoxy)-4-methyl-N-[(1S)-1-(1-methylpyrazol-4-yl)propyl]benzamide

2-(3-aminopropoxy)-4-methyl-N-[(1S)-1-(1-methylpyrazol-4-yl)propyl]benzamide (PubChem CID 125179193) has the molecular formula C18H26N4O2 and a molecular weight of 330.43 g/mol. Its IUPAC name is 2-(3-aminopropoxy)-4-methyl-N-[(1S)-1-(1-methylpyrazol-4-yl)propyl]benzamide.

Molecular Properties

Compound Name2-(3-aminopropoxy)-4-methyl-N-[(1S)-1-(1-methylpyrazol-4-yl)propyl]benzamide
PubChem CID125179193
Molecular FormulaC18H26N4O2
Molecular Weight330.43 g/mol
Exact Mass330.21
IUPAC Name2-(3-aminopropoxy)-4-methyl-N-[(1S)-1-(1-methylpyrazol-4-yl)propyl]benzamide
SMILESCC[C@H](NC(=O)c1ccc(C)cc1OCCCN)c1cnn(C)c1
InChIInChI=1S/C18H26N4O2/c1-4-16(14-11-20-22(3)12-14)21-18(23)15-7-6-13(2)10-17(15)24-9-5-8-19/h6-7,10-12,16H,4-5,8-9,19H2,1-3H3,(H,21,23)/t16-/m0/s1
InChIKeyYEIJSUAEOWORAM-INIZCTEOSA-N
XLogP2.34
TPSA82.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-(3-aminopropoxy)-4-methyl-N-[(1S)-1-(1-methylpyrazol-4-yl)propyl]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-(2-aminoethoxy)-5-methyl-N-[(1R)-1-(1,3-thiazol-2-yl)propyl]benzamide
CID 125169864
2-(2-aminoethoxy)-5-methyl-N-[1-(1,3-thiazol-2-yl)propyl]benzamide
CID 118783713
3-(1-methylpyrazol-4-yl)-N-[1-(1-methylpyrazol-4-yl)propyl]benzamide
CID 119059594
ethyl N-[2-amino-1-(1-methylpyrazol-4-yl)ethyl]carbamate
CID 43199855
4-(1-methylimidazol-2-yl)-N-[1-(1-methylpyrazol-4-yl)propyl]benzamide
CID 119069701
2-(3-aminopropoxy)-N-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-ylmethyl)-4-methylbenzamide
CID 118768094
2-[(2-fluoro-5-methylbenzoyl)amino]-2-(1-methylpyrazol-4-yl)acetic acid
CID 115288212
3-[1-(1-methylpyrazol-4-yl)propylamino]butanamide
CID 115867794
ethyl 2-(4-methylanilino)-2-(1-methylpyrazol-4-yl)acetate
CID 60991776
2-[(2-hydroxy-5-methylbenzoyl)amino]-2-(1-methylpyrazol-4-yl)acetic acid
CID 115288214
5-chloro-2-methoxy-N-[(1S)-1-(1-methylpyrazol-4-yl)ethyl]benzamide
CID 35276397
N-[(1R)-1-(1-ethylpyrazol-4-yl)propyl]-3-methylpyridazine-4-carboxamide
CID 97096504

Frequently Asked Questions

What is the IUPAC name of 2-(3-aminopropoxy)-4-methyl-N-[(1S)-1-(1-methylpyrazol-4-yl)propyl]benzamide?
The IUPAC name of 2-(3-aminopropoxy)-4-methyl-N-[(1S)-1-(1-methylpyrazol-4-yl)propyl]benzamide (CID 125179193) is 2-(3-aminopropoxy)-4-methyl-N-[(1S)-1-(1-methylpyrazol-4-yl)propyl]benzamide.
What is the SMILES notation for 2-(3-aminopropoxy)-4-methyl-N-[(1S)-1-(1-methylpyrazol-4-yl)propyl]benzamide?
The canonical SMILES for 2-(3-aminopropoxy)-4-methyl-N-[(1S)-1-(1-methylpyrazol-4-yl)propyl]benzamide is CC[C@H](NC(=O)c1ccc(C)cc1OCCCN)c1cnn(C)c1.
What is the InChIKey of 2-(3-aminopropoxy)-4-methyl-N-[(1S)-1-(1-methylpyrazol-4-yl)propyl]benzamide?
The InChIKey is YEIJSUAEOWORAM-INIZCTEOSA-N. The full InChI is InChI=1S/C18H26N4O2/c1-4-16(14-11-20-22(3)12-14)21-18(23)15-7-6-13(2)10-17(15)24-9-5-8-19/h6-7,10-12,16H,4-5,8-9,19H2,1-3H3,(H,21,23)/t16-/m0/s1.
What are the key properties of 2-(3-aminopropoxy)-4-methyl-N-[(1S)-1-(1-methylpyrazol-4-yl)propyl]benzamide?
2-(3-aminopropoxy)-4-methyl-N-[(1S)-1-(1-methylpyrazol-4-yl)propyl]benzamide has a molecular weight of 330.43 g/mol, XLogP of 2.34, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminopropoxy)-4-methyl-N-[(1S)-1-(1-methylpyrazol-4-yl)propyl]benzamide is sourced from PubChem (CID 125179193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).