3-amino-N-[5-[(dimethylamino)methyl]-2-methoxyphenyl]propanamide

C13H21N3O2 — CID 43703754

IUPAC3-amino-N-[5-[(dimethylamino)methyl]-2-methoxyphenyl]propanamide
SMILESCOc1ccc(CN(C)C)cc1NC(=O)CCN
InChIInChI=1S/C13H21N3O2/c1-16(2)9-10-4-5-12(18-3)11(8-10)15-13(17)6-7-14/h4-5,8H,6-7,9,14H2,1-3H3,(H,15,17)
InChIKeyLSMBBSQZLUUPIU-UHFFFAOYSA-N
MW251.33 g/mol
LogP1.04
Rot. Bonds6

About 3-amino-N-[5-[(dimethylamino)methyl]-2-methoxyphenyl]propanamide

3-amino-N-[5-[(dimethylamino)methyl]-2-methoxyphenyl]propanamide (PubChem CID 43703754) has the molecular formula C13H21N3O2 and a molecular weight of 251.33 g/mol. Its IUPAC name is 3-amino-N-[5-[(dimethylamino)methyl]-2-methoxyphenyl]propanamide.

Molecular Properties

Compound Name3-amino-N-[5-[(dimethylamino)methyl]-2-methoxyphenyl]propanamide
PubChem CID43703754
Molecular FormulaC13H21N3O2
Molecular Weight251.33 g/mol
Exact Mass251.16
IUPAC Name3-amino-N-[5-[(dimethylamino)methyl]-2-methoxyphenyl]propanamide
SMILESCOc1ccc(CN(C)C)cc1NC(=O)CCN
InChIInChI=1S/C13H21N3O2/c1-16(2)9-10-4-5-12(18-3)11(8-10)15-13(17)6-7-14/h4-5,8H,6-7,9,14H2,1-3H3,(H,15,17)
InChIKeyLSMBBSQZLUUPIU-UHFFFAOYSA-N
XLogP1.04
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[5-[(dimethylamino)methyl]-2-methoxyphenyl]-2-propan-2-yloxyacetamide
CID 115593507
(2S,3S)-2-amino-N-[5-[(dimethylamino)methyl]-2-methoxyphenyl]-3-methylpentanamide
CID 61178895
2-[3-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]propanoylamino]benzamide
CID 33191747
2-amino-N-[5-[(dimethylamino)methyl]-2-methylphenyl]acetamide
CID 83624401
5-[(dimethylamino)methyl]-2-methoxy-N-propan-2-ylaniline
CID 43686566
N-(5-ethyl-2-methoxyphenyl)propanamide
CID 110777230
N,N'-bis(2,5-dimethoxyphenyl)butanediamide
CID 1011774
3-amino-N-(2-ethoxy-5-methoxyphenyl)propanamide
CID 119318009
N-[5-[(dimethylamino)methyl]-2-methoxyphenyl]-4-hydroxypyrrolidine-2-carboxamide
CID 43703764
3-(4-aminophenyl)-N-(5-chloro-2-methoxyphenyl)propanamide
CID 28713135
5-[(dimethylamino)methyl]-N-(2,2-dimethylpropyl)-2-methoxyaniline
CID 61324530
N'-(5-chloro-2-methoxyphenyl)butanediamide
CID 94271903

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[5-[(dimethylamino)methyl]-2-methoxyphenyl]propanamide?
The IUPAC name of 3-amino-N-[5-[(dimethylamino)methyl]-2-methoxyphenyl]propanamide (CID 43703754) is 3-amino-N-[5-[(dimethylamino)methyl]-2-methoxyphenyl]propanamide.
What is the SMILES notation for 3-amino-N-[5-[(dimethylamino)methyl]-2-methoxyphenyl]propanamide?
The canonical SMILES for 3-amino-N-[5-[(dimethylamino)methyl]-2-methoxyphenyl]propanamide is COc1ccc(CN(C)C)cc1NC(=O)CCN.
What is the InChIKey of 3-amino-N-[5-[(dimethylamino)methyl]-2-methoxyphenyl]propanamide?
The InChIKey is LSMBBSQZLUUPIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2/c1-16(2)9-10-4-5-12(18-3)11(8-10)15-13(17)6-7-14/h4-5,8H,6-7,9,14H2,1-3H3,(H,15,17).
What are the key properties of 3-amino-N-[5-[(dimethylamino)methyl]-2-methoxyphenyl]propanamide?
3-amino-N-[5-[(dimethylamino)methyl]-2-methoxyphenyl]propanamide has a molecular weight of 251.33 g/mol, XLogP of 1.04, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[5-[(dimethylamino)methyl]-2-methoxyphenyl]propanamide is sourced from PubChem (CID 43703754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).