N-(3-aminopropyl)-2-(3,4-dimethoxyphenyl)-N-propan-2-ylacetamide

C16H26N2O3 — CID 43136651

IUPACN-(3-aminopropyl)-2-(3,4-dimethoxyphenyl)-N-propan-2-ylacetamide
SMILESCOc1ccc(CC(=O)N(CCCN)C(C)C)cc1OC
InChIInChI=1S/C16H26N2O3/c1-12(2)18(9-5-8-17)16(19)11-13-6-7-14(20-3)15(10-13)21-4/h6-7,10,12H,5,8-9,11,17H2,1-4H3
InChIKeyDRPYDMOGDJTVDZ-UHFFFAOYSA-N
MW294.40 g/mol
LogP1.83
Rot. Bonds8

About N-(3-aminopropyl)-2-(3,4-dimethoxyphenyl)-N-propan-2-ylacetamide

N-(3-aminopropyl)-2-(3,4-dimethoxyphenyl)-N-propan-2-ylacetamide (PubChem CID 43136651) has the molecular formula C16H26N2O3 and a molecular weight of 294.40 g/mol. Its IUPAC name is N-(3-aminopropyl)-2-(3,4-dimethoxyphenyl)-N-propan-2-ylacetamide.

Molecular Properties

Compound NameN-(3-aminopropyl)-2-(3,4-dimethoxyphenyl)-N-propan-2-ylacetamide
PubChem CID43136651
Molecular FormulaC16H26N2O3
Molecular Weight294.40 g/mol
Exact Mass294.19
IUPAC NameN-(3-aminopropyl)-2-(3,4-dimethoxyphenyl)-N-propan-2-ylacetamide
SMILESCOc1ccc(CC(=O)N(CCCN)C(C)C)cc1OC
InChIInChI=1S/C16H26N2O3/c1-12(2)18(9-5-8-17)16(19)11-13-6-7-14(20-3)15(10-13)21-4/h6-7,10,12H,5,8-9,11,17H2,1-4H3
InChIKeyDRPYDMOGDJTVDZ-UHFFFAOYSA-N
XLogP1.83
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-fluoro-4-methoxyphenyl)-N-(3-hydroxypropyl)-N-propan-2-ylacetamide
CID 61039056
N-(3-hydroxypropyl)-2-(3-methoxy-4-methylphenyl)-N-propan-2-ylacetamide
CID 61039698
N-(3-aminopropyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-methylpropanamide
CID 22954106
1-(3,4-dimethoxyphenyl)-3-methylbutan-2-one
CID 22953564
N-(2-aminoethyl)-2-(3,4-dimethoxyphenyl)-N-(2-phenylethyl)acetamide
CID 120884990
2-(3,4-dimethoxyphenyl)ethyl N-(3-aminopropyl)-N-tert-butylcarbamate
CID 91263870
N-(3-aminopropyl)-2-methoxy-N-propan-2-ylbenzamide
CID 43136698
N-(3-chloropropyl)-2-(3,4-dimethylphenyl)-N-propan-2-ylacetamide
CID 63390601
2-(3,4-dimethoxyphenyl)-N-[1-(2-methoxyphenyl)ethyl]-N-methylacetamide
CID 75871944
N-(3-bromopropyl)-2-(3,4-difluorophenyl)-N-propan-2-ylacetamide
CID 80662378
ethyl N-(2-aminoethyl)-N-[(3,4-dimethoxyphenyl)methyl]carbamate
CID 124908731
2-(3,4-dimethoxyphenyl)-N-[2-(4-methoxyphenyl)ethyl]-N-methylacetamide
CID 110287977

Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)-2-(3,4-dimethoxyphenyl)-N-propan-2-ylacetamide?
The IUPAC name of N-(3-aminopropyl)-2-(3,4-dimethoxyphenyl)-N-propan-2-ylacetamide (CID 43136651) is N-(3-aminopropyl)-2-(3,4-dimethoxyphenyl)-N-propan-2-ylacetamide.
What is the SMILES notation for N-(3-aminopropyl)-2-(3,4-dimethoxyphenyl)-N-propan-2-ylacetamide?
The canonical SMILES for N-(3-aminopropyl)-2-(3,4-dimethoxyphenyl)-N-propan-2-ylacetamide is COc1ccc(CC(=O)N(CCCN)C(C)C)cc1OC.
What is the InChIKey of N-(3-aminopropyl)-2-(3,4-dimethoxyphenyl)-N-propan-2-ylacetamide?
The InChIKey is DRPYDMOGDJTVDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O3/c1-12(2)18(9-5-8-17)16(19)11-13-6-7-14(20-3)15(10-13)21-4/h6-7,10,12H,5,8-9,11,17H2,1-4H3.
What are the key properties of N-(3-aminopropyl)-2-(3,4-dimethoxyphenyl)-N-propan-2-ylacetamide?
N-(3-aminopropyl)-2-(3,4-dimethoxyphenyl)-N-propan-2-ylacetamide has a molecular weight of 294.40 g/mol, XLogP of 1.83, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminopropyl)-2-(3,4-dimethoxyphenyl)-N-propan-2-ylacetamide is sourced from PubChem (CID 43136651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).