2-amino-2-ethyl-N-[(3-fluoro-4-methylphenyl)methyl]butanamide

C14H21FN2O — CID 79809845

IUPAC2-amino-2-ethyl-N-[(3-fluoro-4-methylphenyl)methyl]butanamide
SMILESCCC(N)(CC)C(=O)NCc1ccc(C)c(F)c1
InChIInChI=1S/C14H21FN2O/c1-4-14(16,5-2)13(18)17-9-11-7-6-10(3)12(15)8-11/h6-8H,4-5,9,16H2,1-3H3,(H,17,18)
InChIKeyOCGJOXZQQDLMDN-UHFFFAOYSA-N
MW252.33 g/mol
LogP2.27
Rot. Bonds5

About 2-amino-2-ethyl-N-[(3-fluoro-4-methylphenyl)methyl]butanamide

2-amino-2-ethyl-N-[(3-fluoro-4-methylphenyl)methyl]butanamide (PubChem CID 79809845) has the molecular formula C14H21FN2O and a molecular weight of 252.33 g/mol. Its IUPAC name is 2-amino-2-ethyl-N-[(3-fluoro-4-methylphenyl)methyl]butanamide.

Molecular Properties

Compound Name2-amino-2-ethyl-N-[(3-fluoro-4-methylphenyl)methyl]butanamide
PubChem CID79809845
Molecular FormulaC14H21FN2O
Molecular Weight252.33 g/mol
Exact Mass252.16
IUPAC Name2-amino-2-ethyl-N-[(3-fluoro-4-methylphenyl)methyl]butanamide
SMILESCCC(N)(CC)C(=O)NCc1ccc(C)c(F)c1
InChIInChI=1S/C14H21FN2O/c1-4-14(16,5-2)13(18)17-9-11-7-6-10(3)12(15)8-11/h6-8H,4-5,9,16H2,1-3H3,(H,17,18)
InChIKeyOCGJOXZQQDLMDN-UHFFFAOYSA-N
XLogP2.27
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.33
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-2-ethyl-N-[[4-(trifluoromethyl)phenyl]methyl]butanamide
CID 79814612
2-amino-N-[(4-bromophenyl)methyl]-2-ethylbutanamide
CID 79810288
2-amino-N-[(3-fluoro-4-methylphenyl)methyl]-3,3-dimethylbutanamide
CID 76893522
1-[(3-fluoro-4-methylphenyl)methyl]-3-[(4-fluorophenyl)methyl]urea
CID 38949085
N-[(3-fluoro-4-methylphenyl)methyl]-2-(methylamino)acetamide
CID 43388450
3-amino-N-[(4-fluoro-3-methylphenyl)methyl]-2,2-dimethylpropanamide
CID 115154630
4-N-[(3-fluoro-4-methylphenyl)methyl]benzene-1,4-dicarboxamide
CID 34486663
3-(ethylamino)-N-[(3-fluoro-4-methylphenyl)methyl]propanamide
CID 62833982
(2S,3S)-2-amino-N-[(3-fluoro-4-methylphenyl)methyl]-3-methylpentanamide
CID 61155382
6-amino-N-[(3-fluoro-4-methylphenyl)methyl]hexanamide
CID 43471392
5-[[(2-amino-2-ethylbutanoyl)amino]methyl]pyridine-2-carboxylic acid
CID 81099373
N-[(3-fluoro-4-methylphenyl)methyl]-2-methyl-3-(methylamino)propanamide;hydrochloride
CID 119697509

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-ethyl-N-[(3-fluoro-4-methylphenyl)methyl]butanamide?
The IUPAC name of 2-amino-2-ethyl-N-[(3-fluoro-4-methylphenyl)methyl]butanamide (CID 79809845) is 2-amino-2-ethyl-N-[(3-fluoro-4-methylphenyl)methyl]butanamide.
What is the SMILES notation for 2-amino-2-ethyl-N-[(3-fluoro-4-methylphenyl)methyl]butanamide?
The canonical SMILES for 2-amino-2-ethyl-N-[(3-fluoro-4-methylphenyl)methyl]butanamide is CCC(N)(CC)C(=O)NCc1ccc(C)c(F)c1.
What is the InChIKey of 2-amino-2-ethyl-N-[(3-fluoro-4-methylphenyl)methyl]butanamide?
The InChIKey is OCGJOXZQQDLMDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2O/c1-4-14(16,5-2)13(18)17-9-11-7-6-10(3)12(15)8-11/h6-8H,4-5,9,16H2,1-3H3,(H,17,18).
What are the key properties of 2-amino-2-ethyl-N-[(3-fluoro-4-methylphenyl)methyl]butanamide?
2-amino-2-ethyl-N-[(3-fluoro-4-methylphenyl)methyl]butanamide has a molecular weight of 252.33 g/mol, XLogP of 2.27, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-ethyl-N-[(3-fluoro-4-methylphenyl)methyl]butanamide is sourced from PubChem (CID 79809845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).