N-[2-[acetyl-[(3-methylphenyl)methyl]amino]ethyl]-2-ethylbutanamide

C18H28N2O2 — CID 113054219

IUPACN-[2-[acetyl-[(3-methylphenyl)methyl]amino]ethyl]-2-ethylbutanamide
SMILESCCC(CC)C(=O)NCCN(Cc1cccc(C)c1)C(C)=O
InChIInChI=1S/C18H28N2O2/c1-5-17(6-2)18(22)19-10-11-20(15(4)21)13-16-9-7-8-14(3)12-16/h7-9,12,17H,5-6,10-11,13H2,1-4H3,(H,19,22)
InChIKeyDDVDZMWSYUOWAS-UHFFFAOYSA-N
MW304.43 g/mol
LogP2.90
Rot. Bonds8

About N-[2-[acetyl-[(3-methylphenyl)methyl]amino]ethyl]-2-ethylbutanamide

N-[2-[acetyl-[(3-methylphenyl)methyl]amino]ethyl]-2-ethylbutanamide (PubChem CID 113054219) has the molecular formula C18H28N2O2 and a molecular weight of 304.43 g/mol. Its IUPAC name is N-[2-[acetyl-[(3-methylphenyl)methyl]amino]ethyl]-2-ethylbutanamide.

Molecular Properties

Compound NameN-[2-[acetyl-[(3-methylphenyl)methyl]amino]ethyl]-2-ethylbutanamide
PubChem CID113054219
Molecular FormulaC18H28N2O2
Molecular Weight304.43 g/mol
Exact Mass304.22
IUPAC NameN-[2-[acetyl-[(3-methylphenyl)methyl]amino]ethyl]-2-ethylbutanamide
SMILESCCC(CC)C(=O)NCCN(Cc1cccc(C)c1)C(C)=O
InChIInChI=1S/C18H28N2O2/c1-5-17(6-2)18(22)19-10-11-20(15(4)21)13-16-9-7-8-14(3)12-16/h7-9,12,17H,5-6,10-11,13H2,1-4H3,(H,19,22)
InChIKeyDDVDZMWSYUOWAS-UHFFFAOYSA-N
XLogP2.90
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.43
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-[acetyl-[(3-methylphenyl)methyl]amino]ethyl]-2-chlorobenzamide
CID 113054251
N-[2-[acetyl-[(3-methylphenyl)methyl]amino]ethyl]-4-tert-butylbenzamide
CID 113054239
N-[2-[acetyl-[(3,4-dimethoxyphenyl)methyl]amino]ethyl]-2-ethylbutanamide
CID 113056311
3-[acetyl-[(3-methylphenyl)methyl]amino]-N-(2,6-diethylphenyl)propanamide
CID 113118645
N-[2-[acetyl-[(3-methylphenyl)methyl]amino]ethyl]-2-(2-methoxyphenoxy)acetamide
CID 113054259
N-[2-(N-acetyl-2,6-diethylanilino)ethyl]-2-(3-methylphenyl)acetamide
CID 113058905
2-(hydroxymethyl)-N-methyl-N-[(3-methylphenyl)methyl]butanamide
CID 115186654
3-[acetyl-[(3-methylphenyl)methyl]amino]-N-[(4-methylphenyl)methyl]propanamide
CID 113118570
N-[2-[(3,4-dimethylphenyl)sulfonylamino]ethyl]-N-[(3-methylphenyl)methyl]acetamide
CID 113054288
3-[acetyl-[(3-methylphenyl)methyl]amino]-N-(3-methylphenyl)propanamide
CID 113118627
N-[2-(N-acetyl-2,6-diethylanilino)ethyl]-2-ethylbutanamide
CID 113058866
2-[acetyl-[(3-methylphenyl)methyl]amino]-N-propan-2-ylacetamide
CID 113161549

Frequently Asked Questions

What is the IUPAC name of N-[2-[acetyl-[(3-methylphenyl)methyl]amino]ethyl]-2-ethylbutanamide?
The IUPAC name of N-[2-[acetyl-[(3-methylphenyl)methyl]amino]ethyl]-2-ethylbutanamide (CID 113054219) is N-[2-[acetyl-[(3-methylphenyl)methyl]amino]ethyl]-2-ethylbutanamide.
What is the SMILES notation for N-[2-[acetyl-[(3-methylphenyl)methyl]amino]ethyl]-2-ethylbutanamide?
The canonical SMILES for N-[2-[acetyl-[(3-methylphenyl)methyl]amino]ethyl]-2-ethylbutanamide is CCC(CC)C(=O)NCCN(Cc1cccc(C)c1)C(C)=O.
What is the InChIKey of N-[2-[acetyl-[(3-methylphenyl)methyl]amino]ethyl]-2-ethylbutanamide?
The InChIKey is DDVDZMWSYUOWAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O2/c1-5-17(6-2)18(22)19-10-11-20(15(4)21)13-16-9-7-8-14(3)12-16/h7-9,12,17H,5-6,10-11,13H2,1-4H3,(H,19,22).
What are the key properties of N-[2-[acetyl-[(3-methylphenyl)methyl]amino]ethyl]-2-ethylbutanamide?
N-[2-[acetyl-[(3-methylphenyl)methyl]amino]ethyl]-2-ethylbutanamide has a molecular weight of 304.43 g/mol, XLogP of 2.90, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[acetyl-[(3-methylphenyl)methyl]amino]ethyl]-2-ethylbutanamide is sourced from PubChem (CID 113054219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).