3-amino-N-[3-(dimethylamino)propyl]-2-ethoxy-N-ethylbenzamide

C16H27N3O2 — CID 102990804

IUPAC3-amino-N-[3-(dimethylamino)propyl]-2-ethoxy-N-ethylbenzamide
SMILESCCOc1c(N)cccc1C(=O)N(CC)CCCN(C)C
InChIInChI=1S/C16H27N3O2/c1-5-19(12-8-11-18(3)4)16(20)13-9-7-10-14(17)15(13)21-6-2/h7,9-10H,5-6,8,11-12,17H2,1-4H3
InChIKeyRYPHLMBBHMTXDE-UHFFFAOYSA-N
MW293.41 g/mol
LogP2.08
Rot. Bonds8

About 3-amino-N-[3-(dimethylamino)propyl]-2-ethoxy-N-ethylbenzamide

3-amino-N-[3-(dimethylamino)propyl]-2-ethoxy-N-ethylbenzamide (PubChem CID 102990804) has the molecular formula C16H27N3O2 and a molecular weight of 293.41 g/mol. Its IUPAC name is 3-amino-N-[3-(dimethylamino)propyl]-2-ethoxy-N-ethylbenzamide.

Molecular Properties

Compound Name3-amino-N-[3-(dimethylamino)propyl]-2-ethoxy-N-ethylbenzamide
PubChem CID102990804
Molecular FormulaC16H27N3O2
Molecular Weight293.41 g/mol
Exact Mass293.21
IUPAC Name3-amino-N-[3-(dimethylamino)propyl]-2-ethoxy-N-ethylbenzamide
SMILESCCOc1c(N)cccc1C(=O)N(CC)CCCN(C)C
InChIInChI=1S/C16H27N3O2/c1-5-19(12-8-11-18(3)4)16(20)13-9-7-10-14(17)15(13)21-6-2/h7,9-10H,5-6,8,11-12,17H2,1-4H3
InChIKeyRYPHLMBBHMTXDE-UHFFFAOYSA-N
XLogP2.08
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 ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-amino-N-butyl-2-ethoxy-N-methylbenzamide
CID 113386345
N-[3-(dimethylamino)propyl]-N-ethyl-3-hydroxy-2-methylbenzamide
CID 102978926
N-(3-chloropropyl)-N-ethyl-2,3-dimethoxybenzamide
CID 113469120
3-amino-2-ethoxy-N-methylbenzamide
CID 112693169
N-(3-aminopropyl)-N-ethylnaphthalene-1-carboxamide
CID 43319197
4-amino-2-chloro-N-[3-(dimethylamino)propyl]-N-ethylbenzamide
CID 102990858
3-amino-2-ethoxy-N-(2-hydroxypropyl)benzamide
CID 113386382
2-amino-N-ethyl-N-(3-hydroxypropyl)-3-methoxybenzamide
CID 113468548
3-amino-2-ethoxy-N-(5-hydroxypentyl)benzamide
CID 107316231
N-(2-chloroethyl)-2-ethoxy-N-ethylbenzamide
CID 63395258
2-amino-3-chloro-N-[3-(diethylamino)propyl]-N-ethylbenzamide
CID 102990923
3-amino-N-(2,2-dimethylbutyl)-2-ethoxybenzamide
CID 103459929

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[3-(dimethylamino)propyl]-2-ethoxy-N-ethylbenzamide?
The IUPAC name of 3-amino-N-[3-(dimethylamino)propyl]-2-ethoxy-N-ethylbenzamide (CID 102990804) is 3-amino-N-[3-(dimethylamino)propyl]-2-ethoxy-N-ethylbenzamide.
What is the SMILES notation for 3-amino-N-[3-(dimethylamino)propyl]-2-ethoxy-N-ethylbenzamide?
The canonical SMILES for 3-amino-N-[3-(dimethylamino)propyl]-2-ethoxy-N-ethylbenzamide is CCOc1c(N)cccc1C(=O)N(CC)CCCN(C)C.
What is the InChIKey of 3-amino-N-[3-(dimethylamino)propyl]-2-ethoxy-N-ethylbenzamide?
The InChIKey is RYPHLMBBHMTXDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O2/c1-5-19(12-8-11-18(3)4)16(20)13-9-7-10-14(17)15(13)21-6-2/h7,9-10H,5-6,8,11-12,17H2,1-4H3.
What are the key properties of 3-amino-N-[3-(dimethylamino)propyl]-2-ethoxy-N-ethylbenzamide?
3-amino-N-[3-(dimethylamino)propyl]-2-ethoxy-N-ethylbenzamide has a molecular weight of 293.41 g/mol, XLogP of 2.08, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[3-(dimethylamino)propyl]-2-ethoxy-N-ethylbenzamide is sourced from PubChem (CID 102990804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).