2-[N-(3-aminopropyl)-3-methylanilino]-N-(1-methoxypropan-2-yl)acetamide

C16H27N3O2 — CID 61487959

IUPAC2-[N-(3-aminopropyl)-3-methylanilino]-N-(1-methoxypropan-2-yl)acetamide
SMILESCOCC(C)NC(=O)CN(CCCN)c1cccc(C)c1
InChIInChI=1S/C16H27N3O2/c1-13-6-4-7-15(10-13)19(9-5-8-17)11-16(20)18-14(2)12-21-3/h4,6-7,10,14H,5,8-9,11-12,17H2,1-3H3,(H,18,20)
InChIKeyDFMDNZJHJDPTRS-UHFFFAOYSA-N
MW293.41 g/mol
LogP1.30
Rot. Bonds9

About 2-[N-(3-aminopropyl)-3-methylanilino]-N-(1-methoxypropan-2-yl)acetamide

2-[N-(3-aminopropyl)-3-methylanilino]-N-(1-methoxypropan-2-yl)acetamide (PubChem CID 61487959) has the molecular formula C16H27N3O2 and a molecular weight of 293.41 g/mol. Its IUPAC name is 2-[N-(3-aminopropyl)-3-methylanilino]-N-(1-methoxypropan-2-yl)acetamide.

Molecular Properties

Compound Name2-[N-(3-aminopropyl)-3-methylanilino]-N-(1-methoxypropan-2-yl)acetamide
PubChem CID61487959
Molecular FormulaC16H27N3O2
Molecular Weight293.41 g/mol
Exact Mass293.21
IUPAC Name2-[N-(3-aminopropyl)-3-methylanilino]-N-(1-methoxypropan-2-yl)acetamide
SMILESCOCC(C)NC(=O)CN(CCCN)c1cccc(C)c1
InChIInChI=1S/C16H27N3O2/c1-13-6-4-7-15(10-13)19(9-5-8-17)11-16(20)18-14(2)12-21-3/h4,6-7,10,14H,5,8-9,11-12,17H2,1-3H3,(H,18,20)
InChIKeyDFMDNZJHJDPTRS-UHFFFAOYSA-N
XLogP1.30
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[N-(3-aminopropyl)-3-methylanilino]-N-(1-methoxypropan-2-yl)acetamide 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-propan-2-ylacetamide
CID 43318743
2-[4-(aminomethyl)-N-ethylanilino]-N-(1-methoxypropan-2-yl)acetamide
CID 61488230
N'-butyl-N'-(3-methylphenyl)propane-1,3-diamine
CID 43136076
2-[4-(aminomethyl)-N-propan-2-ylanilino]-N-(1-methoxypropan-2-yl)acetamide
CID 61488232
2-[2-aminoethyl(pentan-3-yl)amino]-N-(1-methoxypropan-2-yl)acetamide
CID 63764416
N-(3-aminopropyl)-2-ethoxy-N-(3-methylphenyl)acetamide
CID 43135951
2-[3-(3-aminopropyl)-2,4-dioxopyrimidin-1-yl]-N-(1-methoxypropan-2-yl)acetamide
CID 106933743
N'-(1-methoxypropan-2-yl)-N-(3-methylphenyl)oxamide
CID 44996313
N-(2,6-dimethylphenyl)-2-[[2-[[(2S)-1-methoxypropan-2-yl]amino]-2-oxoethyl]-methylamino]acetamide
CID 40811799
2-[N-(3-aminopropyl)-3-methylanilino]-N-tert-butylpropanamide
CID 43136095
2-(3-methyl-N-propylanilino)acetic acid
CID 83559836
1-(N-ethyl-3-methylanilino)-3-methoxypropan-2-one
CID 107507164

Frequently Asked Questions

What is the IUPAC name of 2-[N-(3-aminopropyl)-3-methylanilino]-N-(1-methoxypropan-2-yl)acetamide?
The IUPAC name of 2-[N-(3-aminopropyl)-3-methylanilino]-N-(1-methoxypropan-2-yl)acetamide (CID 61487959) is 2-[N-(3-aminopropyl)-3-methylanilino]-N-(1-methoxypropan-2-yl)acetamide.
What is the SMILES notation for 2-[N-(3-aminopropyl)-3-methylanilino]-N-(1-methoxypropan-2-yl)acetamide?
The canonical SMILES for 2-[N-(3-aminopropyl)-3-methylanilino]-N-(1-methoxypropan-2-yl)acetamide is COCC(C)NC(=O)CN(CCCN)c1cccc(C)c1.
What is the InChIKey of 2-[N-(3-aminopropyl)-3-methylanilino]-N-(1-methoxypropan-2-yl)acetamide?
The InChIKey is DFMDNZJHJDPTRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O2/c1-13-6-4-7-15(10-13)19(9-5-8-17)11-16(20)18-14(2)12-21-3/h4,6-7,10,14H,5,8-9,11-12,17H2,1-3H3,(H,18,20).
What are the key properties of 2-[N-(3-aminopropyl)-3-methylanilino]-N-(1-methoxypropan-2-yl)acetamide?
2-[N-(3-aminopropyl)-3-methylanilino]-N-(1-methoxypropan-2-yl)acetamide has a molecular weight of 293.41 g/mol, XLogP of 1.30, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[N-(3-aminopropyl)-3-methylanilino]-N-(1-methoxypropan-2-yl)acetamide is sourced from PubChem (CID 61487959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).