2-[N-(3-aminopropyl)-4-methoxyanilino]-N-methyl-N-propan-2-ylacetamide

C16H27N3O2 — CID 43319129

IUPAC2-[N-(3-aminopropyl)-4-methoxyanilino]-N-methyl-N-propan-2-ylacetamide
SMILESCOc1ccc(N(CCCN)CC(=O)N(C)C(C)C)cc1
InChIInChI=1S/C16H27N3O2/c1-13(2)18(3)16(20)12-19(11-5-10-17)14-6-8-15(21-4)9-7-14/h6-9,13H,5,10-12,17H2,1-4H3
InChIKeyGXDHIYVHJKUDIA-UHFFFAOYSA-N
MW293.41 g/mol
LogP1.72
Rot. Bonds8

About 2-[N-(3-aminopropyl)-4-methoxyanilino]-N-methyl-N-propan-2-ylacetamide

2-[N-(3-aminopropyl)-4-methoxyanilino]-N-methyl-N-propan-2-ylacetamide (PubChem CID 43319129) has the molecular formula C16H27N3O2 and a molecular weight of 293.41 g/mol. Its IUPAC name is 2-[N-(3-aminopropyl)-4-methoxyanilino]-N-methyl-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[N-(3-aminopropyl)-4-methoxyanilino]-N-methyl-N-propan-2-ylacetamide
PubChem CID43319129
Molecular FormulaC16H27N3O2
Molecular Weight293.41 g/mol
Exact Mass293.21
IUPAC Name2-[N-(3-aminopropyl)-4-methoxyanilino]-N-methyl-N-propan-2-ylacetamide
SMILESCOc1ccc(N(CCCN)CC(=O)N(C)C(C)C)cc1
InChIInChI=1S/C16H27N3O2/c1-13(2)18(3)16(20)12-19(11-5-10-17)14-6-8-15(21-4)9-7-14/h6-9,13H,5,10-12,17H2,1-4H3
InChIKeyGXDHIYVHJKUDIA-UHFFFAOYSA-N
XLogP1.72
TPSA58.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

Analyze 2-[N-(3-aminopropyl)-4-methoxyanilino]-N-methyl-N-propan-2-ylacetamide 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-[N-(3-aminopropyl)-4-methylanilino]-N-methyl-N-propan-2-ylacetamide
CID 43136070
2-[N-(3-aminopropyl)-4-methoxyanilino]-N-propylacetamide
CID 43136352
3-[N-(3-aminopropyl)-4-methoxyanilino]-N-propan-2-ylpropanamide
CID 62624331
N'-[2-(dimethylamino)ethyl]-N'-(4-methoxyphenyl)propane-1,3-diamine
CID 43136363
N'-(2-ethylsulfonylethyl)-N'-(4-methoxyphenyl)propane-1,3-diamine
CID 43807496
5-[N-(3-aminopropyl)-4-methoxyanilino]pentan-1-ol
CID 62227300
1-(3-aminopropyl)-3-ethyl-1-(4-methoxyphenyl)-3-methylurea
CID 79160191
4-(4-methoxyphenoxy)-N-methyl-N-propan-2-ylbutanamide
CID 86920290
N'-(4-methoxyphenyl)-N'-(pyrimidin-2-ylmethyl)propane-1,3-diamine
CID 62698200
2-[N-(3-aminopropyl)-4-methylanilino]acetic acid
CID 63654241
2-[N-(carboxymethyl)-4-methoxyanilino]acetic acid
CID 4712243
4-amino-N-[3-(4-methoxyphenyl)propyl]-N-methylpentanamide;hydrochloride
CID 120560875

Frequently Asked Questions

What is the IUPAC name of 2-[N-(3-aminopropyl)-4-methoxyanilino]-N-methyl-N-propan-2-ylacetamide?
The IUPAC name of 2-[N-(3-aminopropyl)-4-methoxyanilino]-N-methyl-N-propan-2-ylacetamide (CID 43319129) is 2-[N-(3-aminopropyl)-4-methoxyanilino]-N-methyl-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[N-(3-aminopropyl)-4-methoxyanilino]-N-methyl-N-propan-2-ylacetamide?
The canonical SMILES for 2-[N-(3-aminopropyl)-4-methoxyanilino]-N-methyl-N-propan-2-ylacetamide is COc1ccc(N(CCCN)CC(=O)N(C)C(C)C)cc1.
What is the InChIKey of 2-[N-(3-aminopropyl)-4-methoxyanilino]-N-methyl-N-propan-2-ylacetamide?
The InChIKey is GXDHIYVHJKUDIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O2/c1-13(2)18(3)16(20)12-19(11-5-10-17)14-6-8-15(21-4)9-7-14/h6-9,13H,5,10-12,17H2,1-4H3.
What are the key properties of 2-[N-(3-aminopropyl)-4-methoxyanilino]-N-methyl-N-propan-2-ylacetamide?
2-[N-(3-aminopropyl)-4-methoxyanilino]-N-methyl-N-propan-2-ylacetamide has a molecular weight of 293.41 g/mol, XLogP of 1.72, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[N-(3-aminopropyl)-4-methoxyanilino]-N-methyl-N-propan-2-ylacetamide is sourced from PubChem (CID 43319129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).