2-(butan-2-ylamino)-N-[(2-methoxy-5-methylphenyl)methyl]-N-methylacetamide

C16H26N2O2 — CID 61258818

IUPAC2-(butan-2-ylamino)-N-[(2-methoxy-5-methylphenyl)methyl]-N-methylacetamide
SMILESCCC(C)NCC(=O)N(C)Cc1cc(C)ccc1OC
InChIInChI=1S/C16H26N2O2/c1-6-13(3)17-10-16(19)18(4)11-14-9-12(2)7-8-15(14)20-5/h7-9,13,17H,6,10-11H2,1-5H3
InChIKeyNGJFLUQDJNTKRA-UHFFFAOYSA-N
MW278.40 g/mol
LogP2.35
Rot. Bonds7

About 2-(butan-2-ylamino)-N-[(2-methoxy-5-methylphenyl)methyl]-N-methylacetamide

2-(butan-2-ylamino)-N-[(2-methoxy-5-methylphenyl)methyl]-N-methylacetamide (PubChem CID 61258818) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is 2-(butan-2-ylamino)-N-[(2-methoxy-5-methylphenyl)methyl]-N-methylacetamide.

Molecular Properties

Compound Name2-(butan-2-ylamino)-N-[(2-methoxy-5-methylphenyl)methyl]-N-methylacetamide
PubChem CID61258818
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC Name2-(butan-2-ylamino)-N-[(2-methoxy-5-methylphenyl)methyl]-N-methylacetamide
SMILESCCC(C)NCC(=O)N(C)Cc1cc(C)ccc1OC
InChIInChI=1S/C16H26N2O2/c1-6-13(3)17-10-16(19)18(4)11-14-9-12(2)7-8-15(14)20-5/h7-9,13,17H,6,10-11H2,1-5H3
InChIKeyNGJFLUQDJNTKRA-UHFFFAOYSA-N
XLogP2.35
TPSA41.57 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 ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(butan-2-ylamino)-N-[(2-methoxy-5-methylphenyl)methyl]-N-methylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(2-methoxy-5-methylphenyl)methyl]-N,2-dimethylpropanamide
CID 60666350
2-(butan-2-ylamino)-N-methyl-N-[(3-methylphenyl)methyl]acetamide
CID 54870401
3-(aminomethyl)-N-[(2-methoxy-5-methylphenyl)methyl]-N-methylpentanamide
CID 81087805
(2-methoxy-5-methylphenyl)methyl-methylcarbamic acid
CID 115170937
2-bromo-N-[(2-methoxy-5-methylphenyl)methyl]-N-methylpropanamide
CID 107903015
5-amino-N-[(2-methoxy-5-methylphenyl)methyl]-N,4-dimethylpentanamide
CID 82011236
2-(butan-2-ylamino)-N-[1-(2-methoxyphenyl)ethyl]-N-methylacetamide
CID 60939770
2-[butan-2-yl-[(2-methoxy-5-methylphenyl)methyl]amino]acetic acid
CID 60834543
2-(ethylamino)-N-[2-(2-methoxy-5-methylphenyl)ethyl]-N-methylacetamide
CID 115158094
(2R)-2-[(2-methoxy-5-methylphenyl)methylamino]-3-methylbutanoic acid
CID 93056746
N-[(5-ethyl-2-methoxyphenyl)methyl]-N-methyl-2-(methylamino)acetamide
CID 115151962
4-chloro-N-[2-[(2-methoxy-5-methylphenyl)methyl-methylamino]-2-oxoethyl]pyridine-2-carboxamide
CID 9469935

Frequently Asked Questions

What is the IUPAC name of 2-(butan-2-ylamino)-N-[(2-methoxy-5-methylphenyl)methyl]-N-methylacetamide?
The IUPAC name of 2-(butan-2-ylamino)-N-[(2-methoxy-5-methylphenyl)methyl]-N-methylacetamide (CID 61258818) is 2-(butan-2-ylamino)-N-[(2-methoxy-5-methylphenyl)methyl]-N-methylacetamide.
What is the SMILES notation for 2-(butan-2-ylamino)-N-[(2-methoxy-5-methylphenyl)methyl]-N-methylacetamide?
The canonical SMILES for 2-(butan-2-ylamino)-N-[(2-methoxy-5-methylphenyl)methyl]-N-methylacetamide is CCC(C)NCC(=O)N(C)Cc1cc(C)ccc1OC.
What is the InChIKey of 2-(butan-2-ylamino)-N-[(2-methoxy-5-methylphenyl)methyl]-N-methylacetamide?
The InChIKey is NGJFLUQDJNTKRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-6-13(3)17-10-16(19)18(4)11-14-9-12(2)7-8-15(14)20-5/h7-9,13,17H,6,10-11H2,1-5H3.
What are the key properties of 2-(butan-2-ylamino)-N-[(2-methoxy-5-methylphenyl)methyl]-N-methylacetamide?
2-(butan-2-ylamino)-N-[(2-methoxy-5-methylphenyl)methyl]-N-methylacetamide has a molecular weight of 278.40 g/mol, XLogP of 2.35, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(butan-2-ylamino)-N-[(2-methoxy-5-methylphenyl)methyl]-N-methylacetamide is sourced from PubChem (CID 61258818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).