N-butyl-2-(dimethylcarbamoylamino)-N-[(4-fluorophenyl)methyl]acetamide

C16H24FN3O2 — CID 50952079

IUPACN-butyl-2-(dimethylcarbamoylamino)-N-[(4-fluorophenyl)methyl]acetamide
SMILESCCCCN(Cc1ccc(F)cc1)C(=O)CNC(=O)N(C)C
InChIInChI=1S/C16H24FN3O2/c1-4-5-10-20(12-13-6-8-14(17)9-7-13)15(21)11-18-16(22)19(2)3/h6-9H,4-5,10-12H2,1-3H3,(H,18,22)
InChIKeyZVURDBZHPMCNKY-UHFFFAOYSA-N
MW309.39 g/mol
LogP2.23
Rot. Bonds7

About N-butyl-2-(dimethylcarbamoylamino)-N-[(4-fluorophenyl)methyl]acetamide

N-butyl-2-(dimethylcarbamoylamino)-N-[(4-fluorophenyl)methyl]acetamide (PubChem CID 50952079) has the molecular formula C16H24FN3O2 and a molecular weight of 309.39 g/mol. Its IUPAC name is N-butyl-2-(dimethylcarbamoylamino)-N-[(4-fluorophenyl)methyl]acetamide.

Molecular Properties

Compound NameN-butyl-2-(dimethylcarbamoylamino)-N-[(4-fluorophenyl)methyl]acetamide
PubChem CID50952079
Molecular FormulaC16H24FN3O2
Molecular Weight309.39 g/mol
Exact Mass309.19
IUPAC NameN-butyl-2-(dimethylcarbamoylamino)-N-[(4-fluorophenyl)methyl]acetamide
SMILESCCCCN(Cc1ccc(F)cc1)C(=O)CNC(=O)N(C)C
InChIInChI=1S/C16H24FN3O2/c1-4-5-10-20(12-13-6-8-14(17)9-7-13)15(21)11-18-16(22)19(2)3/h6-9H,4-5,10-12H2,1-3H3,(H,18,22)
InChIKeyZVURDBZHPMCNKY-UHFFFAOYSA-N
XLogP2.23
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.39
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-[(4-fluorophenyl)methyl-pentylamino]-2-oxoethyl]cyclopentanecarboxamide
CID 86963688
2-amino-N-[(4-fluorophenyl)methyl]-N-pentylacetamide;hydrochloride
CID 119270984
N-(2-amino-2-oxoethyl)-N-butyl-2-[(4-fluorophenyl)methylcarbamoylamino]acetamide
CID 86989035
N-[2-(dimethylamino)ethyl]-N-[(4-fluorophenyl)methyl]-2-(methylamino)acetamide;hydrochloride
CID 120705142
N,N-dibutyl-3-(4-fluorophenyl)propanamide
CID 46906422
3-[butyl-[2-(4-fluorophenyl)acetyl]amino]propanoic acid
CID 82325163
3-[butyl-[(4-fluorophenyl)methyl]amino]propanoic acid
CID 82328171
3-butyl-1-(4-fluorophenyl)-1-methylurea
CID 115588404
N-butyl-N-[(4-fluorophenyl)methyl]-2,4-dimethylpyrimidine-5-carboxamide
CID 74240716
N-butyl-N-[(4-fluorophenyl)methyl]butan-1-amine
CID 6422133
N-benzyl-N-butylpropanamide
CID 12502571
2-[[benzyl(pentyl)carbamoyl]amino]acetic acid
CID 70441420

Frequently Asked Questions

What is the IUPAC name of N-butyl-2-(dimethylcarbamoylamino)-N-[(4-fluorophenyl)methyl]acetamide?
The IUPAC name of N-butyl-2-(dimethylcarbamoylamino)-N-[(4-fluorophenyl)methyl]acetamide (CID 50952079) is N-butyl-2-(dimethylcarbamoylamino)-N-[(4-fluorophenyl)methyl]acetamide.
What is the SMILES notation for N-butyl-2-(dimethylcarbamoylamino)-N-[(4-fluorophenyl)methyl]acetamide?
The canonical SMILES for N-butyl-2-(dimethylcarbamoylamino)-N-[(4-fluorophenyl)methyl]acetamide is CCCCN(Cc1ccc(F)cc1)C(=O)CNC(=O)N(C)C.
What is the InChIKey of N-butyl-2-(dimethylcarbamoylamino)-N-[(4-fluorophenyl)methyl]acetamide?
The InChIKey is ZVURDBZHPMCNKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24FN3O2/c1-4-5-10-20(12-13-6-8-14(17)9-7-13)15(21)11-18-16(22)19(2)3/h6-9H,4-5,10-12H2,1-3H3,(H,18,22).
What are the key properties of N-butyl-2-(dimethylcarbamoylamino)-N-[(4-fluorophenyl)methyl]acetamide?
N-butyl-2-(dimethylcarbamoylamino)-N-[(4-fluorophenyl)methyl]acetamide has a molecular weight of 309.39 g/mol, XLogP of 2.23, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-(dimethylcarbamoylamino)-N-[(4-fluorophenyl)methyl]acetamide is sourced from PubChem (CID 50952079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).