4-[[cyclopropyl-[(2S)-2-(cyclopropylmethoxy)propanoyl]amino]methyl]-N-methylbenzamide

C19H26N2O3 — CID 94823521

IUPAC4-[[cyclopropyl-[(2S)-2-(cyclopropylmethoxy)propanoyl]amino]methyl]-N-methylbenzamide
SMILESCNC(=O)c1ccc(CN(C(=O)[C@H](C)OCC2CC2)C2CC2)cc1
InChIInChI=1S/C19H26N2O3/c1-13(24-12-15-3-4-15)19(23)21(17-9-10-17)11-14-5-7-16(8-6-14)18(22)20-2/h5-8,13,15,17H,3-4,9-12H2,1-2H3,(H,20,22)/t13-/m0/s1
InChIKeyQTUQCSXQRMTGFM-ZDUSSCGKSA-N
MW330.43 g/mol
LogP2.35
Rot. Bonds8

About 4-[[cyclopropyl-[(2S)-2-(cyclopropylmethoxy)propanoyl]amino]methyl]-N-methylbenzamide

4-[[cyclopropyl-[(2S)-2-(cyclopropylmethoxy)propanoyl]amino]methyl]-N-methylbenzamide (PubChem CID 94823521) has the molecular formula C19H26N2O3 and a molecular weight of 330.43 g/mol. Its IUPAC name is 4-[[cyclopropyl-[(2S)-2-(cyclopropylmethoxy)propanoyl]amino]methyl]-N-methylbenzamide.

Molecular Properties

Compound Name4-[[cyclopropyl-[(2S)-2-(cyclopropylmethoxy)propanoyl]amino]methyl]-N-methylbenzamide
PubChem CID94823521
Molecular FormulaC19H26N2O3
Molecular Weight330.43 g/mol
Exact Mass330.19
IUPAC Name4-[[cyclopropyl-[(2S)-2-(cyclopropylmethoxy)propanoyl]amino]methyl]-N-methylbenzamide
SMILESCNC(=O)c1ccc(CN(C(=O)[C@H](C)OCC2CC2)C2CC2)cc1
InChIInChI=1S/C19H26N2O3/c1-13(24-12-15-3-4-15)19(23)21(17-9-10-17)11-14-5-7-16(8-6-14)18(22)20-2/h5-8,13,15,17H,3-4,9-12H2,1-2H3,(H,20,22)/t13-/m0/s1
InChIKeyQTUQCSXQRMTGFM-ZDUSSCGKSA-N
XLogP2.35
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-[[cyclopropyl-[(2S)-2-(cyclopropylmethoxy)propanoyl]amino]methyl]-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

4-[2-(cyclopropylmethoxy)propanoylamino]-N-methylbenzamide
CID 47422905
4-[[benzoyl(cyclopropyl)amino]methyl]-N-methylbenzamide
CID 33351912
N-cyclopropyl-5-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]thiophene-2-carboxamide
CID 33351813
4-[[cyclopropyl-(4-methylsulfonylbenzoyl)amino]methyl]-N-methylbenzamide
CID 33351444
N-cyclopropyl-3,4,5-triethoxy-N-[[4-(methylcarbamoyl)phenyl]methyl]benzamide
CID 33351847
4-[[[2-(2-butan-2-ylphenoxy)acetyl]-cyclopropylamino]methyl]-N-methylbenzamide
CID 46565913
5-bromo-2-chloro-N-cyclopropyl-N-[[4-(methylcarbamoyl)phenyl]methyl]benzamide
CID 33352305
N-cyclopropyl-4-(difluoromethoxy)-3-methoxy-N-[[4-(methylcarbamoyl)phenyl]methyl]benzamide
CID 33349377
4-[[cyclopropyl-[(2S)-2-methylsulfanylpropanoyl]amino]methyl]benzamide
CID 39881839
4-[[cyclopropyl-[4-(trifluoromethylsulfonyl)benzoyl]amino]methyl]-N-methylbenzamide
CID 37154016
4-chloro-N-cyclopropyl-3-iodo-N-[[4-(methylcarbamoyl)phenyl]methyl]benzamide
CID 39881157
4-[[cyclopropyl-(2-naphthalen-2-ylacetyl)amino]methyl]-N-methylbenzamide
CID 33351222

Frequently Asked Questions

What is the IUPAC name of 4-[[cyclopropyl-[(2S)-2-(cyclopropylmethoxy)propanoyl]amino]methyl]-N-methylbenzamide?
The IUPAC name of 4-[[cyclopropyl-[(2S)-2-(cyclopropylmethoxy)propanoyl]amino]methyl]-N-methylbenzamide (CID 94823521) is 4-[[cyclopropyl-[(2S)-2-(cyclopropylmethoxy)propanoyl]amino]methyl]-N-methylbenzamide.
What is the SMILES notation for 4-[[cyclopropyl-[(2S)-2-(cyclopropylmethoxy)propanoyl]amino]methyl]-N-methylbenzamide?
The canonical SMILES for 4-[[cyclopropyl-[(2S)-2-(cyclopropylmethoxy)propanoyl]amino]methyl]-N-methylbenzamide is CNC(=O)c1ccc(CN(C(=O)[C@H](C)OCC2CC2)C2CC2)cc1.
What is the InChIKey of 4-[[cyclopropyl-[(2S)-2-(cyclopropylmethoxy)propanoyl]amino]methyl]-N-methylbenzamide?
The InChIKey is QTUQCSXQRMTGFM-ZDUSSCGKSA-N. The full InChI is InChI=1S/C19H26N2O3/c1-13(24-12-15-3-4-15)19(23)21(17-9-10-17)11-14-5-7-16(8-6-14)18(22)20-2/h5-8,13,15,17H,3-4,9-12H2,1-2H3,(H,20,22)/t13-/m0/s1.
What are the key properties of 4-[[cyclopropyl-[(2S)-2-(cyclopropylmethoxy)propanoyl]amino]methyl]-N-methylbenzamide?
4-[[cyclopropyl-[(2S)-2-(cyclopropylmethoxy)propanoyl]amino]methyl]-N-methylbenzamide has a molecular weight of 330.43 g/mol, XLogP of 2.35, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[cyclopropyl-[(2S)-2-(cyclopropylmethoxy)propanoyl]amino]methyl]-N-methylbenzamide is sourced from PubChem (CID 94823521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).