N-[2-(dimethylamino)-2-methylpropyl]-3-(4-fluoro-3-methylphenyl)-4-methylpentanamide

C19H31FN2O — CID 110353499

IUPACN-[2-(dimethylamino)-2-methylpropyl]-3-(4-fluoro-3-methylphenyl)-4-methylpentanamide
SMILESCc1cc(C(CC(=O)NCC(C)(C)N(C)C)C(C)C)ccc1F
InChIInChI=1S/C19H31FN2O/c1-13(2)16(15-8-9-17(20)14(3)10-15)11-18(23)21-12-19(4,5)22(6)7/h8-10,13,16H,11-12H2,1-7H3,(H,21,23)
InChIKeyPKMRYARXYWBMHC-UHFFFAOYSA-N
MW322.47 g/mol
LogP3.72
Rot. Bonds7

About N-[2-(dimethylamino)-2-methylpropyl]-3-(4-fluoro-3-methylphenyl)-4-methylpentanamide

N-[2-(dimethylamino)-2-methylpropyl]-3-(4-fluoro-3-methylphenyl)-4-methylpentanamide (PubChem CID 110353499) has the molecular formula C19H31FN2O and a molecular weight of 322.47 g/mol. Its IUPAC name is N-[2-(dimethylamino)-2-methylpropyl]-3-(4-fluoro-3-methylphenyl)-4-methylpentanamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)-2-methylpropyl]-3-(4-fluoro-3-methylphenyl)-4-methylpentanamide
PubChem CID110353499
Molecular FormulaC19H31FN2O
Molecular Weight322.47 g/mol
Exact Mass322.24
IUPAC NameN-[2-(dimethylamino)-2-methylpropyl]-3-(4-fluoro-3-methylphenyl)-4-methylpentanamide
SMILESCc1cc(C(CC(=O)NCC(C)(C)N(C)C)C(C)C)ccc1F
InChIInChI=1S/C19H31FN2O/c1-13(2)16(15-8-9-17(20)14(3)10-15)11-18(23)21-12-19(4,5)22(6)7/h8-10,13,16H,11-12H2,1-7H3,(H,21,23)
InChIKeyPKMRYARXYWBMHC-UHFFFAOYSA-N
XLogP3.72
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.47
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3S)-3-(4-fluoro-3-methylphenyl)-4-methylpentanoic acid
CID 42073479
N-[2-(dimethylamino)-2-methylpropyl]-2-(4-fluorophenyl)-3-methylbutanamide
CID 110312950
N-[(3-cyclopropyl-2-oxo-1,3-oxazolidin-5-yl)methyl]-3-(4-fluoro-3-methylphenyl)-4-methylpentanamide
CID 110354909
3-(4-fluoro-3-methylphenyl)-4-methyl-1-(2-methylmorpholin-4-yl)pentan-1-one
CID 110354740
4-(1-bromo-4-methylpentan-3-yl)-1-fluoro-2-methylbenzene
CID 82093450
3-[1-(4-fluoro-3-methylphenyl)ethyl-methylamino]-2-methylpropanoic acid
CID 110838634
N-[2-(dimethylamino)-2-methylpropyl]-4-(4-fluorophenyl)-4-oxobutanamide
CID 110303265
2-[1-(4-fluoro-3-methylphenyl)ethyl-methylamino]-3-methylbutanoic acid
CID 110838515
2-[dimethylamino-(4-fluoro-3-methylphenyl)methyl]-3-methylbutanoic acid
CID 116913163
2-(4-fluoro-3-methylphenyl)-2-hydroxy-N-(2-methylpropyl)acetamide
CID 82129851
[2-(4-fluoro-3-methylphenyl)-2-methylpropyl]carbamic acid
CID 115171370
N-(3,3-dimethylbutan-2-yl)-4-fluoro-3-methylbenzamide
CID 115622752

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)-2-methylpropyl]-3-(4-fluoro-3-methylphenyl)-4-methylpentanamide?
The IUPAC name of N-[2-(dimethylamino)-2-methylpropyl]-3-(4-fluoro-3-methylphenyl)-4-methylpentanamide (CID 110353499) is N-[2-(dimethylamino)-2-methylpropyl]-3-(4-fluoro-3-methylphenyl)-4-methylpentanamide.
What is the SMILES notation for N-[2-(dimethylamino)-2-methylpropyl]-3-(4-fluoro-3-methylphenyl)-4-methylpentanamide?
The canonical SMILES for N-[2-(dimethylamino)-2-methylpropyl]-3-(4-fluoro-3-methylphenyl)-4-methylpentanamide is Cc1cc(C(CC(=O)NCC(C)(C)N(C)C)C(C)C)ccc1F.
What is the InChIKey of N-[2-(dimethylamino)-2-methylpropyl]-3-(4-fluoro-3-methylphenyl)-4-methylpentanamide?
The InChIKey is PKMRYARXYWBMHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31FN2O/c1-13(2)16(15-8-9-17(20)14(3)10-15)11-18(23)21-12-19(4,5)22(6)7/h8-10,13,16H,11-12H2,1-7H3,(H,21,23).
What are the key properties of N-[2-(dimethylamino)-2-methylpropyl]-3-(4-fluoro-3-methylphenyl)-4-methylpentanamide?
N-[2-(dimethylamino)-2-methylpropyl]-3-(4-fluoro-3-methylphenyl)-4-methylpentanamide has a molecular weight of 322.47 g/mol, XLogP of 3.72, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)-2-methylpropyl]-3-(4-fluoro-3-methylphenyl)-4-methylpentanamide is sourced from PubChem (CID 110353499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).