N-(3-amino-2-methylpropyl)-2-(4-fluorophenyl)-2-methylpropanamide

C14H21FN2O — CID 119996739

IUPACN-(3-amino-2-methylpropyl)-2-(4-fluorophenyl)-2-methylpropanamide
SMILESCC(CN)CNC(=O)C(C)(C)c1ccc(F)cc1
InChIInChI=1S/C14H21FN2O/c1-10(8-16)9-17-13(18)14(2,3)11-4-6-12(15)7-5-11/h4-7,10H,8-9,16H2,1-3H3,(H,17,18)
InChIKeyOTLGSJBRLGRPCF-UHFFFAOYSA-N
MW252.33 g/mol
LogP1.81
Rot. Bonds5

About N-(3-amino-2-methylpropyl)-2-(4-fluorophenyl)-2-methylpropanamide

N-(3-amino-2-methylpropyl)-2-(4-fluorophenyl)-2-methylpropanamide (PubChem CID 119996739) has the molecular formula C14H21FN2O and a molecular weight of 252.33 g/mol. Its IUPAC name is N-(3-amino-2-methylpropyl)-2-(4-fluorophenyl)-2-methylpropanamide.

Molecular Properties

Compound NameN-(3-amino-2-methylpropyl)-2-(4-fluorophenyl)-2-methylpropanamide
PubChem CID119996739
Molecular FormulaC14H21FN2O
Molecular Weight252.33 g/mol
Exact Mass252.16
IUPAC NameN-(3-amino-2-methylpropyl)-2-(4-fluorophenyl)-2-methylpropanamide
SMILESCC(CN)CNC(=O)C(C)(C)c1ccc(F)cc1
InChIInChI=1S/C14H21FN2O/c1-10(8-16)9-17-13(18)14(2,3)11-4-6-12(15)7-5-11/h4-7,10H,8-9,16H2,1-3H3,(H,17,18)
InChIKeyOTLGSJBRLGRPCF-UHFFFAOYSA-N
XLogP1.81
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 ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-amino-2-methylpropyl)-2-(4-chlorophenyl)-2-methylpropanamide;hydrochloride
CID 119995339
1-(3-amino-2-methylpropyl)-3-(4-fluorophenyl)urea
CID 62665920
3-[[2-(4-fluorophenyl)-2-methylpropanoyl]amino]propanoic acid
CID 119177515
4-[[2-(4-ethylphenyl)-2-methylpropanoyl]amino]-3-methylbutanoic acid
CID 120689707
N-(3-amino-2-methylpropyl)-2-(4-chlorophenyl)-2-ethylbutanamide
CID 119996737
2-(4-chlorophenyl)-N-(2-hydroxypropyl)-2-methylpropanamide
CID 110466162
2-(4-fluorophenyl)-2-methyl-N-(2-phenylethyl)propanamide
CID 113197365
N-(3-amino-2-methylpropyl)-3-(4-fluorophenoxy)propanamide
CID 119995301
N-(3-amino-2-methylpropyl)-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide;hydrochloride
CID 119997336
N-(3-amino-2-methylpropyl)-5-(4-fluorophenyl)furan-2-carboxamide
CID 119995910
N-(3-amino-2-methylpropyl)-2-bromo-5-fluorobenzamide
CID 119997831
N-(3-amino-2-methylpropyl)-2-(4-tert-butylphenoxy)propanamide
CID 119997217

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2-methylpropyl)-2-(4-fluorophenyl)-2-methylpropanamide?
The IUPAC name of N-(3-amino-2-methylpropyl)-2-(4-fluorophenyl)-2-methylpropanamide (CID 119996739) is N-(3-amino-2-methylpropyl)-2-(4-fluorophenyl)-2-methylpropanamide.
What is the SMILES notation for N-(3-amino-2-methylpropyl)-2-(4-fluorophenyl)-2-methylpropanamide?
The canonical SMILES for N-(3-amino-2-methylpropyl)-2-(4-fluorophenyl)-2-methylpropanamide is CC(CN)CNC(=O)C(C)(C)c1ccc(F)cc1.
What is the InChIKey of N-(3-amino-2-methylpropyl)-2-(4-fluorophenyl)-2-methylpropanamide?
The InChIKey is OTLGSJBRLGRPCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2O/c1-10(8-16)9-17-13(18)14(2,3)11-4-6-12(15)7-5-11/h4-7,10H,8-9,16H2,1-3H3,(H,17,18).
What are the key properties of N-(3-amino-2-methylpropyl)-2-(4-fluorophenyl)-2-methylpropanamide?
N-(3-amino-2-methylpropyl)-2-(4-fluorophenyl)-2-methylpropanamide has a molecular weight of 252.33 g/mol, XLogP of 1.81, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2-methylpropyl)-2-(4-fluorophenyl)-2-methylpropanamide is sourced from PubChem (CID 119996739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).