N-cyclopropyl-4-(2,2-dimethoxyethylamino)benzamide

C14H20N2O3 — CID 63698290

IUPACN-cyclopropyl-4-(2,2-dimethoxyethylamino)benzamide
SMILESCOC(CNc1ccc(C(=O)NC2CC2)cc1)OC
InChIInChI=1S/C14H20N2O3/c1-18-13(19-2)9-15-11-5-3-10(4-6-11)14(17)16-12-7-8-12/h3-6,12-13,15H,7-9H2,1-2H3,(H,16,17)
InChIKeyPEZBNTSGHQKXRV-UHFFFAOYSA-N
MW264.32 g/mol
LogP1.61
Rot. Bonds7

About N-cyclopropyl-4-(2,2-dimethoxyethylamino)benzamide

N-cyclopropyl-4-(2,2-dimethoxyethylamino)benzamide (PubChem CID 63698290) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is N-cyclopropyl-4-(2,2-dimethoxyethylamino)benzamide.

Molecular Properties

Compound NameN-cyclopropyl-4-(2,2-dimethoxyethylamino)benzamide
PubChem CID63698290
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC NameN-cyclopropyl-4-(2,2-dimethoxyethylamino)benzamide
SMILESCOC(CNc1ccc(C(=O)NC2CC2)cc1)OC
InChIInChI=1S/C14H20N2O3/c1-18-13(19-2)9-15-11-5-3-10(4-6-11)14(17)16-12-7-8-12/h3-6,12-13,15H,7-9H2,1-2H3,(H,16,17)
InChIKeyPEZBNTSGHQKXRV-UHFFFAOYSA-N
XLogP1.61
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

N-cyclopropyl-4-(pentylamino)benzamide
CID 43687480
N-cyclopropyl-4-(methylamino)benzamide
CID 62170956
N-cyclobutyl-4-(propylamino)benzamide
CID 55067083
N-cyclopropyl-4-(3-methylsulfanylpropylamino)benzamide
CID 43687486
methyl N-[[4-(cyclopropylcarbamoyl)phenyl]methyl]carbamate
CID 110465113
N-cyclopropyl-4-(propan-2-ylsulfinylamino)benzamide
CID 71168832
N-cyclooctyl-4-(propylamino)benzamide
CID 62172072
N-cyclopropyl-4-(5-methylhexan-2-ylamino)benzamide
CID 43687524
N-cyclopropyl-4-[[2-(hydroxymethyl)-2-methylbutyl]amino]benzamide
CID 81413351
N-(3-methylcyclopentyl)-4-(propylamino)benzamide
CID 114540645
4-[(1R,2S)-2-amino-3-fluoro-1-methoxypropyl]-N-cyclopropylbenzamide
CID 134395527
methyl 4-[[3-(cycloheptylamino)-3-oxopropyl]amino]benzoate
CID 109031506

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-(2,2-dimethoxyethylamino)benzamide?
The IUPAC name of N-cyclopropyl-4-(2,2-dimethoxyethylamino)benzamide (CID 63698290) is N-cyclopropyl-4-(2,2-dimethoxyethylamino)benzamide.
What is the SMILES notation for N-cyclopropyl-4-(2,2-dimethoxyethylamino)benzamide?
The canonical SMILES for N-cyclopropyl-4-(2,2-dimethoxyethylamino)benzamide is COC(CNc1ccc(C(=O)NC2CC2)cc1)OC.
What is the InChIKey of N-cyclopropyl-4-(2,2-dimethoxyethylamino)benzamide?
The InChIKey is PEZBNTSGHQKXRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-18-13(19-2)9-15-11-5-3-10(4-6-11)14(17)16-12-7-8-12/h3-6,12-13,15H,7-9H2,1-2H3,(H,16,17).
What are the key properties of N-cyclopropyl-4-(2,2-dimethoxyethylamino)benzamide?
N-cyclopropyl-4-(2,2-dimethoxyethylamino)benzamide has a molecular weight of 264.32 g/mol, XLogP of 1.61, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-(2,2-dimethoxyethylamino)benzamide is sourced from PubChem (CID 63698290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).