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

C16H25FN2O — CID 120652249

IUPACN-[(2R)-2-(ethylamino)propyl]-4-(3-fluorophenyl)-2-methylbutanamide
SMILESCCN[C@H](C)CNC(=O)C(C)CCc1cccc(F)c1
InChIInChI=1S/C16H25FN2O/c1-4-18-13(3)11-19-16(20)12(2)8-9-14-6-5-7-15(17)10-14/h5-7,10,12-13,18H,4,8-9,11H2,1-3H3,(H,19,20)/t12?,13-/m1/s1
InChIKeyNNXAFVRUVKMWQF-ZGTCLIOFSA-N
MW280.39 g/mol
LogP2.51
Rot. Bonds8

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

N-[(2R)-2-(ethylamino)propyl]-4-(3-fluorophenyl)-2-methylbutanamide (PubChem CID 120652249) has the molecular formula C16H25FN2O and a molecular weight of 280.39 g/mol. Its IUPAC name is N-[(2R)-2-(ethylamino)propyl]-4-(3-fluorophenyl)-2-methylbutanamide.

Molecular Properties

Compound NameN-[(2R)-2-(ethylamino)propyl]-4-(3-fluorophenyl)-2-methylbutanamide
PubChem CID120652249
Molecular FormulaC16H25FN2O
Molecular Weight280.39 g/mol
Exact Mass280.20
IUPAC NameN-[(2R)-2-(ethylamino)propyl]-4-(3-fluorophenyl)-2-methylbutanamide
SMILESCCN[C@H](C)CNC(=O)C(C)CCc1cccc(F)c1
InChIInChI=1S/C16H25FN2O/c1-4-18-13(3)11-19-16(20)12(2)8-9-14-6-5-7-15(17)10-14/h5-7,10,12-13,18H,4,8-9,11H2,1-3H3,(H,19,20)/t12?,13-/m1/s1
InChIKeyNNXAFVRUVKMWQF-ZGTCLIOFSA-N
XLogP2.51
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.39
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-aminopropyl)-4-(3-fluorophenyl)-2-methylbutanamide
CID 119405222
4-(3-fluorophenyl)-N-[[2-(hydroxymethyl)phenyl]methyl]-2-methylbutanamide
CID 111477260
4-[[[4-(3-fluorophenyl)-2-methylbutanoyl]amino]methyl]benzoic acid
CID 119165629
N-[(2R)-2-(ethylamino)propyl]-4-(3-fluorophenyl)-3-methyl-4-oxobutanamide
CID 120654075
(2S)-2-[[4-(3-fluorophenyl)-2-methylbutanoyl]amino]-3-phenylpropanoic acid
CID 119366770
4-(3-fluorophenyl)-2-methyl-N-(2-pyrrolidin-3-ylethyl)butanamide;hydrochloride
CID 119533848
(2R)-4-(3-fluorophenyl)-2-methyl-N-[(1-methylpyrazol-4-yl)methyl]butanamide
CID 96559898
2-[[(2S)-4-(3-fluorophenyl)butan-2-yl]amino]-2-oxoacetic acid
CID 99784116
N-(1-amino-2,3-dimethylbutan-2-yl)-4-(3-fluorophenyl)-2-methylbutanamide
CID 119605825
N-(ethylcarbamoyl)-2-[2-(3-fluorophenyl)ethylamino]propanamide
CID 43401425
2-[[[4-(3-fluorophenyl)-2-methylbutanoyl]amino]methyl]-1,3-thiazole-4-carboxylic acid
CID 119245359
(2S)-2-amino-N-[2-(3-fluorophenyl)ethyl]propanamide
CID 61145838

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-(ethylamino)propyl]-4-(3-fluorophenyl)-2-methylbutanamide?
The IUPAC name of N-[(2R)-2-(ethylamino)propyl]-4-(3-fluorophenyl)-2-methylbutanamide (CID 120652249) is N-[(2R)-2-(ethylamino)propyl]-4-(3-fluorophenyl)-2-methylbutanamide.
What is the SMILES notation for N-[(2R)-2-(ethylamino)propyl]-4-(3-fluorophenyl)-2-methylbutanamide?
The canonical SMILES for N-[(2R)-2-(ethylamino)propyl]-4-(3-fluorophenyl)-2-methylbutanamide is CCN[C@H](C)CNC(=O)C(C)CCc1cccc(F)c1.
What is the InChIKey of N-[(2R)-2-(ethylamino)propyl]-4-(3-fluorophenyl)-2-methylbutanamide?
The InChIKey is NNXAFVRUVKMWQF-ZGTCLIOFSA-N. The full InChI is InChI=1S/C16H25FN2O/c1-4-18-13(3)11-19-16(20)12(2)8-9-14-6-5-7-15(17)10-14/h5-7,10,12-13,18H,4,8-9,11H2,1-3H3,(H,19,20)/t12?,13-/m1/s1.
What are the key properties of N-[(2R)-2-(ethylamino)propyl]-4-(3-fluorophenyl)-2-methylbutanamide?
N-[(2R)-2-(ethylamino)propyl]-4-(3-fluorophenyl)-2-methylbutanamide has a molecular weight of 280.39 g/mol, XLogP of 2.51, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-(ethylamino)propyl]-4-(3-fluorophenyl)-2-methylbutanamide is sourced from PubChem (CID 120652249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).