3-(aminomethyl)-N-[(3,4-dimethoxyphenyl)methyl]-N-methylpentanamide

C16H26N2O3 — CID 81070299

IUPAC3-(aminomethyl)-N-[(3,4-dimethoxyphenyl)methyl]-N-methylpentanamide
SMILESCCC(CN)CC(=O)N(C)Cc1ccc(OC)c(OC)c1
InChIInChI=1S/C16H26N2O3/c1-5-12(10-17)9-16(19)18(2)11-13-6-7-14(20-3)15(8-13)21-4/h6-8,12H,5,9-11,17H2,1-4H3
InChIKeyXFSBHROQTMQUME-UHFFFAOYSA-N
MW294.40 g/mol
LogP2.04
Rot. Bonds8

About 3-(aminomethyl)-N-[(3,4-dimethoxyphenyl)methyl]-N-methylpentanamide

3-(aminomethyl)-N-[(3,4-dimethoxyphenyl)methyl]-N-methylpentanamide (PubChem CID 81070299) has the molecular formula C16H26N2O3 and a molecular weight of 294.40 g/mol. Its IUPAC name is 3-(aminomethyl)-N-[(3,4-dimethoxyphenyl)methyl]-N-methylpentanamide.

Molecular Properties

Compound Name3-(aminomethyl)-N-[(3,4-dimethoxyphenyl)methyl]-N-methylpentanamide
PubChem CID81070299
Molecular FormulaC16H26N2O3
Molecular Weight294.40 g/mol
Exact Mass294.19
IUPAC Name3-(aminomethyl)-N-[(3,4-dimethoxyphenyl)methyl]-N-methylpentanamide
SMILESCCC(CN)CC(=O)N(C)Cc1ccc(OC)c(OC)c1
InChIInChI=1S/C16H26N2O3/c1-5-12(10-17)9-16(19)18(2)11-13-6-7-14(20-3)15(8-13)21-4/h6-8,12H,5,9-11,17H2,1-4H3
InChIKeyXFSBHROQTMQUME-UHFFFAOYSA-N
XLogP2.04
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 ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(aminomethyl)-N-[(2-methoxy-5-methylphenyl)methyl]-N-methylpentanamide
CID 81087805
N-[(3,4-dimethoxyphenyl)methyl]-3-(ethylamino)-N-methylbutanamide
CID 62837059
N-[(3,4-dimethoxyphenyl)methyl]-2-hydroxy-N-methylacetamide
CID 14117549
3-(aminomethyl)-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-methylpentanamide
CID 81070909
3-amino-N-[(3,4-dimethoxyphenyl)methyl]-2-methoxy-N-methylpropanamide
CID 106111912
4-amino-N-[(3-hydroxy-4-methoxyphenyl)methyl]-3-methoxy-N-methylbutanamide
CID 120589966
N-[(3,4-dimethoxyphenyl)methyl]-2-(4-ethylphenyl)-N-methylacetamide
CID 100741439
3-(aminomethyl)-N-methyl-N-(pyridin-4-ylmethyl)pentanamide
CID 81070672
(2S,3S)-2-amino-N-[(3,4-dimethoxyphenyl)methyl]-N,3-dimethylpentanamide
CID 61164051
(2S)-2-amino-N-[(3,4-dimethoxyphenyl)methyl]-N,3-dimethylpentanamide
CID 61174257
4-amino-N-[(3-fluoro-4-methoxyphenyl)methyl]-N,3-dimethylbutanamide
CID 81075378
2-amino-N-[(3,4-dimethoxyphenyl)methyl]-2-ethyl-N-methylbutanamide
CID 79814208

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-N-[(3,4-dimethoxyphenyl)methyl]-N-methylpentanamide?
The IUPAC name of 3-(aminomethyl)-N-[(3,4-dimethoxyphenyl)methyl]-N-methylpentanamide (CID 81070299) is 3-(aminomethyl)-N-[(3,4-dimethoxyphenyl)methyl]-N-methylpentanamide.
What is the SMILES notation for 3-(aminomethyl)-N-[(3,4-dimethoxyphenyl)methyl]-N-methylpentanamide?
The canonical SMILES for 3-(aminomethyl)-N-[(3,4-dimethoxyphenyl)methyl]-N-methylpentanamide is CCC(CN)CC(=O)N(C)Cc1ccc(OC)c(OC)c1.
What is the InChIKey of 3-(aminomethyl)-N-[(3,4-dimethoxyphenyl)methyl]-N-methylpentanamide?
The InChIKey is XFSBHROQTMQUME-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O3/c1-5-12(10-17)9-16(19)18(2)11-13-6-7-14(20-3)15(8-13)21-4/h6-8,12H,5,9-11,17H2,1-4H3.
What are the key properties of 3-(aminomethyl)-N-[(3,4-dimethoxyphenyl)methyl]-N-methylpentanamide?
3-(aminomethyl)-N-[(3,4-dimethoxyphenyl)methyl]-N-methylpentanamide has a molecular weight of 294.40 g/mol, XLogP of 2.04, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-N-[(3,4-dimethoxyphenyl)methyl]-N-methylpentanamide is sourced from PubChem (CID 81070299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).