2-[[2-[N-(2,2-dimethoxyethyl)anilino]acetyl]-methylamino]-N-propylacetamide

C18H29N3O4 — CID 75455965

IUPAC2-[[2-[N-(2,2-dimethoxyethyl)anilino]acetyl]-methylamino]-N-propylacetamide
SMILESCCCNC(=O)CN(C)C(=O)CN(CC(OC)OC)c1ccccc1
InChIInChI=1S/C18H29N3O4/c1-5-11-19-16(22)12-20(2)17(23)13-21(14-18(24-3)25-4)15-9-7-6-8-10-15/h6-10,18H,5,11-14H2,1-4H3,(H,19,22)
InChIKeyRUVCCFRAZYJWHX-UHFFFAOYSA-N
MW351.45 g/mol
LogP1.10
Rot. Bonds11

About 2-[[2-[N-(2,2-dimethoxyethyl)anilino]acetyl]-methylamino]-N-propylacetamide

2-[[2-[N-(2,2-dimethoxyethyl)anilino]acetyl]-methylamino]-N-propylacetamide (PubChem CID 75455965) has the molecular formula C18H29N3O4 and a molecular weight of 351.45 g/mol. Its IUPAC name is 2-[[2-[N-(2,2-dimethoxyethyl)anilino]acetyl]-methylamino]-N-propylacetamide.

Molecular Properties

Compound Name2-[[2-[N-(2,2-dimethoxyethyl)anilino]acetyl]-methylamino]-N-propylacetamide
PubChem CID75455965
Molecular FormulaC18H29N3O4
Molecular Weight351.45 g/mol
Exact Mass351.22
IUPAC Name2-[[2-[N-(2,2-dimethoxyethyl)anilino]acetyl]-methylamino]-N-propylacetamide
SMILESCCCNC(=O)CN(C)C(=O)CN(CC(OC)OC)c1ccccc1
InChIInChI=1S/C18H29N3O4/c1-5-11-19-16(22)12-20(2)17(23)13-21(14-18(24-3)25-4)15-9-7-6-8-10-15/h6-10,18H,5,11-14H2,1-4H3,(H,19,22)
InChIKeyRUVCCFRAZYJWHX-UHFFFAOYSA-N
XLogP1.10
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-[[2-[N-(2,2-dimethoxyethyl)anilino]acetyl]-methylamino]-N-propylacetamide 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-[2,2-dimethoxyethyl(methyl)amino]-N-propylacetamide
CID 66221480
N-methyl-N-[2-oxo-2-(propylamino)ethyl]benzamide
CID 60636554
phenyl N-methyl-N-[2-oxo-2-(propylamino)ethyl]carbamate
CID 60636579
2-[N-(3-hydroxypropyl)anilino]-N-propylacetamide
CID 111859978
2-(2-aminophenyl)-N-methyl-N-[2-oxo-2-(propylamino)ethyl]acetamide
CID 61115422
2-(N-benzyl-4-methoxyanilino)-N-propylacetamide
CID 18166490
2-[acetyl(1-phenylethyl)amino]-N-propylacetamide
CID 113161938
3-methoxy-4-[[methyl-[2-oxo-2-(propylamino)ethyl]carbamoyl]amino]butanoic acid
CID 103158829
2-[[2-[methyl-[2-oxo-2-(propylamino)ethyl]amino]-2-oxoethyl]-(2-methylpropyl)amino]acetic acid
CID 63065230
methyl 2-[[2-[methyl-[2-oxo-2-(propylamino)ethyl]amino]-2-oxoethyl]-propan-2-ylamino]acetate
CID 62026833
N-(cyclopropylmethyl)-2-(N-[(2S)-2-hydroxypropyl]anilino)acetamide
CID 52910290
(E)-N-methyl-N-[2-oxo-2-(propylamino)ethyl]-3-phenylprop-2-enamide
CID 7972275

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[N-(2,2-dimethoxyethyl)anilino]acetyl]-methylamino]-N-propylacetamide?
The IUPAC name of 2-[[2-[N-(2,2-dimethoxyethyl)anilino]acetyl]-methylamino]-N-propylacetamide (CID 75455965) is 2-[[2-[N-(2,2-dimethoxyethyl)anilino]acetyl]-methylamino]-N-propylacetamide.
What is the SMILES notation for 2-[[2-[N-(2,2-dimethoxyethyl)anilino]acetyl]-methylamino]-N-propylacetamide?
The canonical SMILES for 2-[[2-[N-(2,2-dimethoxyethyl)anilino]acetyl]-methylamino]-N-propylacetamide is CCCNC(=O)CN(C)C(=O)CN(CC(OC)OC)c1ccccc1.
What is the InChIKey of 2-[[2-[N-(2,2-dimethoxyethyl)anilino]acetyl]-methylamino]-N-propylacetamide?
The InChIKey is RUVCCFRAZYJWHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3O4/c1-5-11-19-16(22)12-20(2)17(23)13-21(14-18(24-3)25-4)15-9-7-6-8-10-15/h6-10,18H,5,11-14H2,1-4H3,(H,19,22).
What are the key properties of 2-[[2-[N-(2,2-dimethoxyethyl)anilino]acetyl]-methylamino]-N-propylacetamide?
2-[[2-[N-(2,2-dimethoxyethyl)anilino]acetyl]-methylamino]-N-propylacetamide has a molecular weight of 351.45 g/mol, XLogP of 1.10, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[N-(2,2-dimethoxyethyl)anilino]acetyl]-methylamino]-N-propylacetamide is sourced from PubChem (CID 75455965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).