N-cyclopropyl-4-methoxy-3-[[(3R)-oxolan-3-yl]methylcarbamoylamino]benzamide

C17H23N3O4 — CID 125161688

IUPACN-cyclopropyl-4-methoxy-3-[[(3R)-oxolan-3-yl]methylcarbamoylamino]benzamide
SMILESCOc1ccc(C(=O)NC2CC2)cc1NC(=O)NC[C@H]1CCOC1
InChIInChI=1S/C17H23N3O4/c1-23-15-5-2-12(16(21)19-13-3-4-13)8-14(15)20-17(22)18-9-11-6-7-24-10-11/h2,5,8,11,13H,3-4,6-7,9-10H2,1H3,(H,19,21)(H2,18,20,22)/t11-/m1/s1
InChIKeyWKAFJAXCEYUJIQ-LLVKDONJSA-N
MW333.39 g/mol
LogP1.75
Rot. Bonds6

About N-cyclopropyl-4-methoxy-3-[[(3R)-oxolan-3-yl]methylcarbamoylamino]benzamide

N-cyclopropyl-4-methoxy-3-[[(3R)-oxolan-3-yl]methylcarbamoylamino]benzamide (PubChem CID 125161688) has the molecular formula C17H23N3O4 and a molecular weight of 333.39 g/mol. Its IUPAC name is N-cyclopropyl-4-methoxy-3-[[(3R)-oxolan-3-yl]methylcarbamoylamino]benzamide.

Molecular Properties

Compound NameN-cyclopropyl-4-methoxy-3-[[(3R)-oxolan-3-yl]methylcarbamoylamino]benzamide
PubChem CID125161688
Molecular FormulaC17H23N3O4
Molecular Weight333.39 g/mol
Exact Mass333.17
IUPAC NameN-cyclopropyl-4-methoxy-3-[[(3R)-oxolan-3-yl]methylcarbamoylamino]benzamide
SMILESCOc1ccc(C(=O)NC2CC2)cc1NC(=O)NC[C@H]1CCOC1
InChIInChI=1S/C17H23N3O4/c1-23-15-5-2-12(16(21)19-13-3-4-13)8-14(15)20-17(22)18-9-11-6-7-24-10-11/h2,5,8,11,13H,3-4,6-7,9-10H2,1H3,(H,19,21)(H2,18,20,22)/t11-/m1/s1
InChIKeyWKAFJAXCEYUJIQ-LLVKDONJSA-N
XLogP1.75
TPSA88.69 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.39
LogP ≤ 51.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze N-cyclopropyl-4-methoxy-3-[[(3R)-oxolan-3-yl]methylcarbamoylamino]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

1-(4-methoxy-2-methylphenyl)-3-[[(3S)-oxolan-3-yl]methyl]urea
CID 125170007
2-methoxy-4-(oxolan-3-ylmethylcarbamoylamino)benzoic acid
CID 107209471
3-hydroxy-4-methoxy-N-(oxan-3-ylmethyl)benzamide
CID 79672650
N-cyclopropyl-4-(oxolan-3-ylmethylamino)benzamide
CID 43687551
3-bromo-4-methoxy-N-[2-(oxolan-3-yl)ethyl]benzamide
CID 113415100
1-(2-methoxy-3-pyridinyl)-3-[[(3R)-oxolan-3-yl]methyl]urea
CID 94178810
N-cyclopropyl-4-methoxy-3-(prop-2-ynylamino)benzamide
CID 171531137
3-fluoro-4-methoxy-N-(oxolan-3-yl)benzamide
CID 86780875
4-fluoro-3-(oxan-4-ylmethylcarbamoylamino)benzoic acid
CID 63705581
N-cyclopropyl-3-ethyl-4-methoxybenzamide
CID 110761892
1-[4-(4-methoxyphenoxy)phenyl]-3-[[(3S)-oxolan-3-yl]methyl]urea
CID 125156664
4-chloro-3-[(2-methoxyphenyl)sulfamoyl]-N-(oxolan-3-ylmethyl)benzamide
CID 55659385

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-methoxy-3-[[(3R)-oxolan-3-yl]methylcarbamoylamino]benzamide?
The IUPAC name of N-cyclopropyl-4-methoxy-3-[[(3R)-oxolan-3-yl]methylcarbamoylamino]benzamide (CID 125161688) is N-cyclopropyl-4-methoxy-3-[[(3R)-oxolan-3-yl]methylcarbamoylamino]benzamide.
What is the SMILES notation for N-cyclopropyl-4-methoxy-3-[[(3R)-oxolan-3-yl]methylcarbamoylamino]benzamide?
The canonical SMILES for N-cyclopropyl-4-methoxy-3-[[(3R)-oxolan-3-yl]methylcarbamoylamino]benzamide is COc1ccc(C(=O)NC2CC2)cc1NC(=O)NC[C@H]1CCOC1.
What is the InChIKey of N-cyclopropyl-4-methoxy-3-[[(3R)-oxolan-3-yl]methylcarbamoylamino]benzamide?
The InChIKey is WKAFJAXCEYUJIQ-LLVKDONJSA-N. The full InChI is InChI=1S/C17H23N3O4/c1-23-15-5-2-12(16(21)19-13-3-4-13)8-14(15)20-17(22)18-9-11-6-7-24-10-11/h2,5,8,11,13H,3-4,6-7,9-10H2,1H3,(H,19,21)(H2,18,20,22)/t11-/m1/s1.
What are the key properties of N-cyclopropyl-4-methoxy-3-[[(3R)-oxolan-3-yl]methylcarbamoylamino]benzamide?
N-cyclopropyl-4-methoxy-3-[[(3R)-oxolan-3-yl]methylcarbamoylamino]benzamide has a molecular weight of 333.39 g/mol, XLogP of 1.75, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-methoxy-3-[[(3R)-oxolan-3-yl]methylcarbamoylamino]benzamide is sourced from PubChem (CID 125161688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).