N-[(2R)-2-(ethylamino)propyl]-4-(3-fluorophenyl)-3-methyl-4-oxobutanamide

C16H23FN2O2 — CID 120654075

IUPACN-[(2R)-2-(ethylamino)propyl]-4-(3-fluorophenyl)-3-methyl-4-oxobutanamide
SMILESCCN[C@H](C)CNC(=O)CC(C)C(=O)c1cccc(F)c1
InChIInChI=1S/C16H23FN2O2/c1-4-18-12(3)10-19-15(20)8-11(2)16(21)13-6-5-7-14(17)9-13/h5-7,9,11-12,18H,4,8,10H2,1-3H3,(H,19,20)/t11?,12-/m1/s1
InChIKeyMMDLSVPWJKDMQI-PIJUOVFKSA-N
MW294.37 g/mol
LogP2.15
Rot. Bonds8

About N-[(2R)-2-(ethylamino)propyl]-4-(3-fluorophenyl)-3-methyl-4-oxobutanamide

N-[(2R)-2-(ethylamino)propyl]-4-(3-fluorophenyl)-3-methyl-4-oxobutanamide (PubChem CID 120654075) has the molecular formula C16H23FN2O2 and a molecular weight of 294.37 g/mol. Its IUPAC name is N-[(2R)-2-(ethylamino)propyl]-4-(3-fluorophenyl)-3-methyl-4-oxobutanamide.

Molecular Properties

Compound NameN-[(2R)-2-(ethylamino)propyl]-4-(3-fluorophenyl)-3-methyl-4-oxobutanamide
PubChem CID120654075
Molecular FormulaC16H23FN2O2
Molecular Weight294.37 g/mol
Exact Mass294.17
IUPAC NameN-[(2R)-2-(ethylamino)propyl]-4-(3-fluorophenyl)-3-methyl-4-oxobutanamide
SMILESCCN[C@H](C)CNC(=O)CC(C)C(=O)c1cccc(F)c1
InChIInChI=1S/C16H23FN2O2/c1-4-18-12(3)10-19-15(20)8-11(2)16(21)13-6-5-7-14(17)9-13/h5-7,9,11-12,18H,4,8,10H2,1-3H3,(H,19,20)/t11?,12-/m1/s1
InChIKeyMMDLSVPWJKDMQI-PIJUOVFKSA-N
XLogP2.15
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.37
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(3-fluorophenyl)-3-methyl-N-[2-(methylamino)propyl]-4-oxobutanamide;hydrochloride
CID 120832487
2-[[4-(3-fluorophenyl)-3-methyl-4-oxobutanoyl]amino]acetic acid
CID 119350223
N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-4-(3-fluorophenyl)-3-methyl-4-oxobutanamide
CID 119525803
N-(2-amino-2-methylpropyl)-4-(3-fluorophenyl)-3-methyl-4-oxobutanamide;hydrochloride
CID 119626886
2-(ethylamino)-1-(3-fluorophenyl)propan-1-one
CID 91696120
1-(3-fluorophenyl)-2-methyl-3-(methylamino)propan-1-one
CID 116586938
(3S)-N-(1-amino-2-methyl-1-oxopropan-2-yl)-4-(3-fluorophenyl)-3-methyl-4-oxobutanamide
CID 95904870
N-[(2R)-2-(ethylamino)propyl]-4-(3-fluorophenyl)-2-methylbutanamide
CID 120652249
N-[(2R)-2-(ethylamino)propyl]-2,5-difluorobenzamide
CID 120651737
N-[(2R)-2-(ethylamino)propyl]-3,5-difluorobenzamide
CID 120653813
N-[(2R)-2-(ethylamino)propyl]-4-methyl-3-phenylpentanamide
CID 120654213
4-(3-fluorophenyl)-3-methyl-4-oxo-N-(2-piperidin-3-ylethyl)butanamide;hydrochloride
CID 119556045

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-(ethylamino)propyl]-4-(3-fluorophenyl)-3-methyl-4-oxobutanamide?
The IUPAC name of N-[(2R)-2-(ethylamino)propyl]-4-(3-fluorophenyl)-3-methyl-4-oxobutanamide (CID 120654075) is N-[(2R)-2-(ethylamino)propyl]-4-(3-fluorophenyl)-3-methyl-4-oxobutanamide.
What is the SMILES notation for N-[(2R)-2-(ethylamino)propyl]-4-(3-fluorophenyl)-3-methyl-4-oxobutanamide?
The canonical SMILES for N-[(2R)-2-(ethylamino)propyl]-4-(3-fluorophenyl)-3-methyl-4-oxobutanamide is CCN[C@H](C)CNC(=O)CC(C)C(=O)c1cccc(F)c1.
What is the InChIKey of N-[(2R)-2-(ethylamino)propyl]-4-(3-fluorophenyl)-3-methyl-4-oxobutanamide?
The InChIKey is MMDLSVPWJKDMQI-PIJUOVFKSA-N. The full InChI is InChI=1S/C16H23FN2O2/c1-4-18-12(3)10-19-15(20)8-11(2)16(21)13-6-5-7-14(17)9-13/h5-7,9,11-12,18H,4,8,10H2,1-3H3,(H,19,20)/t11?,12-/m1/s1.
What are the key properties of N-[(2R)-2-(ethylamino)propyl]-4-(3-fluorophenyl)-3-methyl-4-oxobutanamide?
N-[(2R)-2-(ethylamino)propyl]-4-(3-fluorophenyl)-3-methyl-4-oxobutanamide has a molecular weight of 294.37 g/mol, XLogP of 2.15, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-(ethylamino)propyl]-4-(3-fluorophenyl)-3-methyl-4-oxobutanamide is sourced from PubChem (CID 120654075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).