3-(aminomethyl)-N-[(2-methoxy-5-methylphenyl)methyl]-N-methylpentanamide

C16H26N2O2 — CID 81087805

IUPAC3-(aminomethyl)-N-[(2-methoxy-5-methylphenyl)methyl]-N-methylpentanamide
SMILESCCC(CN)CC(=O)N(C)Cc1cc(C)ccc1OC
InChIInChI=1S/C16H26N2O2/c1-5-13(10-17)9-16(19)18(3)11-14-8-12(2)6-7-15(14)20-4/h6-8,13H,5,9-11,17H2,1-4H3
InChIKeyNVLLLJZWOLPAEH-UHFFFAOYSA-N
MW278.40 g/mol
LogP2.34
Rot. Bonds7

About 3-(aminomethyl)-N-[(2-methoxy-5-methylphenyl)methyl]-N-methylpentanamide

3-(aminomethyl)-N-[(2-methoxy-5-methylphenyl)methyl]-N-methylpentanamide (PubChem CID 81087805) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is 3-(aminomethyl)-N-[(2-methoxy-5-methylphenyl)methyl]-N-methylpentanamide.

Molecular Properties

Compound Name3-(aminomethyl)-N-[(2-methoxy-5-methylphenyl)methyl]-N-methylpentanamide
PubChem CID81087805
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC Name3-(aminomethyl)-N-[(2-methoxy-5-methylphenyl)methyl]-N-methylpentanamide
SMILESCCC(CN)CC(=O)N(C)Cc1cc(C)ccc1OC
InChIInChI=1S/C16H26N2O2/c1-5-13(10-17)9-16(19)18(3)11-14-8-12(2)6-7-15(14)20-4/h6-8,13H,5,9-11,17H2,1-4H3
InChIKeyNVLLLJZWOLPAEH-UHFFFAOYSA-N
XLogP2.34
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(aminomethyl)-N-[(2,4-dimethylphenyl)methyl]-N-methylpentanamide
CID 81087736
3-(aminomethyl)-N-[(3,4-dimethoxyphenyl)methyl]-N-methylpentanamide
CID 81070299
5-amino-N-[(2-methoxy-5-methylphenyl)methyl]-N,4-dimethylpentanamide
CID 82011236
2-(butan-2-ylamino)-N-[(2-methoxy-5-methylphenyl)methyl]-N-methylacetamide
CID 61258818
N-[(2-methoxy-5-methylphenyl)methyl]-N,2-dimethylpropanamide
CID 60666350
(2-methoxy-5-methylphenyl)methyl-methylcarbamic acid
CID 115170937
2-amino-N-[(2-methoxy-5-methylphenyl)methyl]-N,3,3-trimethylbutanamide
CID 76896843
3-amino-4-[(2-methoxy-5-methylphenyl)methyl-methylamino]-4-oxobutanoic acid
CID 64896727
3-(aminomethyl)-N-[(2,4-dichlorophenyl)methyl]-N-methylpentanamide
CID 81086606
3-(aminomethyl)-N-[1-(2-methoxyphenyl)propan-2-yl]-N-methylpentanamide
CID 81084373
2-bromo-N-[(2-methoxy-5-methylphenyl)methyl]-N-methylpropanamide
CID 107903015
1,1-diethoxy-3-(2-methoxy-5-methylphenyl)propan-2-one
CID 79495074

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-N-[(2-methoxy-5-methylphenyl)methyl]-N-methylpentanamide?
The IUPAC name of 3-(aminomethyl)-N-[(2-methoxy-5-methylphenyl)methyl]-N-methylpentanamide (CID 81087805) is 3-(aminomethyl)-N-[(2-methoxy-5-methylphenyl)methyl]-N-methylpentanamide.
What is the SMILES notation for 3-(aminomethyl)-N-[(2-methoxy-5-methylphenyl)methyl]-N-methylpentanamide?
The canonical SMILES for 3-(aminomethyl)-N-[(2-methoxy-5-methylphenyl)methyl]-N-methylpentanamide is CCC(CN)CC(=O)N(C)Cc1cc(C)ccc1OC.
What is the InChIKey of 3-(aminomethyl)-N-[(2-methoxy-5-methylphenyl)methyl]-N-methylpentanamide?
The InChIKey is NVLLLJZWOLPAEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-5-13(10-17)9-16(19)18(3)11-14-8-12(2)6-7-15(14)20-4/h6-8,13H,5,9-11,17H2,1-4H3.
What are the key properties of 3-(aminomethyl)-N-[(2-methoxy-5-methylphenyl)methyl]-N-methylpentanamide?
3-(aminomethyl)-N-[(2-methoxy-5-methylphenyl)methyl]-N-methylpentanamide has a molecular weight of 278.40 g/mol, XLogP of 2.34, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-N-[(2-methoxy-5-methylphenyl)methyl]-N-methylpentanamide is sourced from PubChem (CID 81087805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).