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

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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).