N-[1-(butylamino)-1-oxopropan-2-yl]-N-[(4-fluorophenyl)methyl]-2-methylpropanamide

C18H27FN2O2 — CID 133149574

IUPACN-[1-(butylamino)-1-oxopropan-2-yl]-N-[(4-fluorophenyl)methyl]-2-methylpropanamide
SMILESCCCCNC(=O)C(C)N(Cc1ccc(F)cc1)C(=O)C(C)C
InChIInChI=1S/C18H27FN2O2/c1-5-6-11-20-17(22)14(4)21(18(23)13(2)3)12-15-7-9-16(19)10-8-15/h7-10,13-14H,5-6,11-12H2,1-4H3,(H,20,22)
InChIKeyWWODNSFTKNJPBB-UHFFFAOYSA-N
MW322.42 g/mol
LogP3.12
Rot. Bonds8

About N-[1-(butylamino)-1-oxopropan-2-yl]-N-[(4-fluorophenyl)methyl]-2-methylpropanamide

N-[1-(butylamino)-1-oxopropan-2-yl]-N-[(4-fluorophenyl)methyl]-2-methylpropanamide (PubChem CID 133149574) has the molecular formula C18H27FN2O2 and a molecular weight of 322.42 g/mol. Its IUPAC name is N-[1-(butylamino)-1-oxopropan-2-yl]-N-[(4-fluorophenyl)methyl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[1-(butylamino)-1-oxopropan-2-yl]-N-[(4-fluorophenyl)methyl]-2-methylpropanamide
PubChem CID133149574
Molecular FormulaC18H27FN2O2
Molecular Weight322.42 g/mol
Exact Mass322.21
IUPAC NameN-[1-(butylamino)-1-oxopropan-2-yl]-N-[(4-fluorophenyl)methyl]-2-methylpropanamide
SMILESCCCCNC(=O)C(C)N(Cc1ccc(F)cc1)C(=O)C(C)C
InChIInChI=1S/C18H27FN2O2/c1-5-6-11-20-17(22)14(4)21(18(23)13(2)3)12-15-7-9-16(19)10-8-15/h7-10,13-14H,5-6,11-12H2,1-4H3,(H,20,22)
InChIKeyWWODNSFTKNJPBB-UHFFFAOYSA-N
XLogP3.12
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.42
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-(butylamino)-2-oxo-1-phenylethyl]-N-[(4-fluorophenyl)methyl]-2-methylpropanamide
CID 133238194
N-[1-(butylamino)-1-oxopropan-2-yl]-N-[(4-methoxyphenyl)methyl]-2-methylpropanamide
CID 133213563
N-butyl-2-[(4-fluorophenyl)methyl-[2-(4-methylphenyl)acetyl]amino]propanamide
CID 132703411
N-butyl-2-[[2-(2-fluorophenyl)acetyl]-[(4-fluorophenyl)methyl]amino]propanamide
CID 132703784
N-butyl-2-[(4-fluorophenyl)methyl-[2-(4-methoxyphenyl)acetyl]amino]propanamide
CID 132705518
N-butyl-2-[3-(4-ethylphenyl)propanoyl-[(4-fluorophenyl)methyl]amino]propanamide
CID 132707568
N-[1-(1,3-benzodioxol-5-ylmethylamino)-1-oxopropan-2-yl]-N-[(4-fluorophenyl)methyl]-2-methylpropanamide
CID 133213072
2-[(4-fluorophenyl)methyl-[2-(4-methylphenyl)acetyl]amino]-N-propylpropanamide
CID 132655610
N-butyl-2-[(4-fluorophenyl)methyl-[2-(4-methoxyphenoxy)acetyl]amino]propanamide
CID 132708331
(2R)-2-[(3-bromophenyl)methyl-[2-(4-fluorophenyl)acetyl]amino]-N-butylpropanamide
CID 100572254
N-butyl-2-[(4-chlorophenyl)methyl-[2-(2-fluorophenyl)acetyl]amino]propanamide
CID 132706192
2-[[2-(2-chlorophenyl)acetyl]-[(4-fluorophenyl)methyl]amino]-N-propylpropanamide
CID 132659384

Frequently Asked Questions

What is the IUPAC name of N-[1-(butylamino)-1-oxopropan-2-yl]-N-[(4-fluorophenyl)methyl]-2-methylpropanamide?
The IUPAC name of N-[1-(butylamino)-1-oxopropan-2-yl]-N-[(4-fluorophenyl)methyl]-2-methylpropanamide (CID 133149574) is N-[1-(butylamino)-1-oxopropan-2-yl]-N-[(4-fluorophenyl)methyl]-2-methylpropanamide.
What is the SMILES notation for N-[1-(butylamino)-1-oxopropan-2-yl]-N-[(4-fluorophenyl)methyl]-2-methylpropanamide?
The canonical SMILES for N-[1-(butylamino)-1-oxopropan-2-yl]-N-[(4-fluorophenyl)methyl]-2-methylpropanamide is CCCCNC(=O)C(C)N(Cc1ccc(F)cc1)C(=O)C(C)C.
What is the InChIKey of N-[1-(butylamino)-1-oxopropan-2-yl]-N-[(4-fluorophenyl)methyl]-2-methylpropanamide?
The InChIKey is WWODNSFTKNJPBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27FN2O2/c1-5-6-11-20-17(22)14(4)21(18(23)13(2)3)12-15-7-9-16(19)10-8-15/h7-10,13-14H,5-6,11-12H2,1-4H3,(H,20,22).
What are the key properties of N-[1-(butylamino)-1-oxopropan-2-yl]-N-[(4-fluorophenyl)methyl]-2-methylpropanamide?
N-[1-(butylamino)-1-oxopropan-2-yl]-N-[(4-fluorophenyl)methyl]-2-methylpropanamide has a molecular weight of 322.42 g/mol, XLogP of 3.12, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(butylamino)-1-oxopropan-2-yl]-N-[(4-fluorophenyl)methyl]-2-methylpropanamide is sourced from PubChem (CID 133149574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).