N-(3-aminopropyl)-2-ethoxy-N-(3-methylphenyl)acetamide

C14H22N2O2 — CID 43135951

IUPACN-(3-aminopropyl)-2-ethoxy-N-(3-methylphenyl)acetamide
SMILESCCOCC(=O)N(CCCN)c1cccc(C)c1
InChIInChI=1S/C14H22N2O2/c1-3-18-11-14(17)16(9-5-8-15)13-7-4-6-12(2)10-13/h4,6-7,10H,3,5,8-9,11,15H2,1-2H3
InChIKeySJZYCGXSSZPICK-UHFFFAOYSA-N
MW250.34 g/mol
LogP1.71
Rot. Bonds7

About N-(3-aminopropyl)-2-ethoxy-N-(3-methylphenyl)acetamide

N-(3-aminopropyl)-2-ethoxy-N-(3-methylphenyl)acetamide (PubChem CID 43135951) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is N-(3-aminopropyl)-2-ethoxy-N-(3-methylphenyl)acetamide.

Molecular Properties

Compound NameN-(3-aminopropyl)-2-ethoxy-N-(3-methylphenyl)acetamide
PubChem CID43135951
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC NameN-(3-aminopropyl)-2-ethoxy-N-(3-methylphenyl)acetamide
SMILESCCOCC(=O)N(CCCN)c1cccc(C)c1
InChIInChI=1S/C14H22N2O2/c1-3-18-11-14(17)16(9-5-8-15)13-7-4-6-12(2)10-13/h4,6-7,10H,3,5,8-9,11,15H2,1-2H3
InChIKeySJZYCGXSSZPICK-UHFFFAOYSA-N
XLogP1.71
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-aminopropyl)-2,2-dimethyl-N-(3-methylphenyl)propanamide
CID 28766915
N-(3-aminopropyl)-2,2-dimethyl-N-(3-methylphenyl)butanamide
CID 62677230
N-(3-aminopropyl)-2-methyl-N-(3-methylphenyl)benzamide
CID 28766933
4-amino-N-(3-amino-3-oxopropyl)-N-(3-methylphenyl)butanamide;hydrochloride
CID 119311463
3-amino-N-ethyl-N-(3-methylphenyl)propanamide
CID 22692119
N-heptyl-N-(3-methylphenyl)propanamide
CID 167100434
N-(3-aminopropyl)-N-(3-methylphenyl)cyclohexanecarboxamide
CID 28766909
N-(3-aminopropyl)-1-methyl-N-(3-methylphenyl)cyclohexane-1-carboxamide
CID 106825939
N-(3-aminopropyl)-3-fluoro-N-(3-methylphenyl)benzamide
CID 28766949
N-(3-aminopropyl)-2-methyl-N-(3-methylphenyl)furan-3-carboxamide
CID 43135957
1-(3-methylphenyl)-1-pentylurea
CID 3032149
N-(2-aminoethyl)-N-(3-methylphenyl)-2-phenylacetamide
CID 28768817

Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)-2-ethoxy-N-(3-methylphenyl)acetamide?
The IUPAC name of N-(3-aminopropyl)-2-ethoxy-N-(3-methylphenyl)acetamide (CID 43135951) is N-(3-aminopropyl)-2-ethoxy-N-(3-methylphenyl)acetamide.
What is the SMILES notation for N-(3-aminopropyl)-2-ethoxy-N-(3-methylphenyl)acetamide?
The canonical SMILES for N-(3-aminopropyl)-2-ethoxy-N-(3-methylphenyl)acetamide is CCOCC(=O)N(CCCN)c1cccc(C)c1.
What is the InChIKey of N-(3-aminopropyl)-2-ethoxy-N-(3-methylphenyl)acetamide?
The InChIKey is SJZYCGXSSZPICK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-3-18-11-14(17)16(9-5-8-15)13-7-4-6-12(2)10-13/h4,6-7,10H,3,5,8-9,11,15H2,1-2H3.
What are the key properties of N-(3-aminopropyl)-2-ethoxy-N-(3-methylphenyl)acetamide?
N-(3-aminopropyl)-2-ethoxy-N-(3-methylphenyl)acetamide has a molecular weight of 250.34 g/mol, XLogP of 1.71, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminopropyl)-2-ethoxy-N-(3-methylphenyl)acetamide is sourced from PubChem (CID 43135951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).