N-(ethylcarbamoyl)-2-[[(1S)-1-(4-fluorophenyl)ethyl]amino]propanamide

C14H20FN3O2 — CID 81347825

IUPACN-(ethylcarbamoyl)-2-[[(1S)-1-(4-fluorophenyl)ethyl]amino]propanamide
SMILESCCNC(=O)NC(=O)C(C)N[C@@H](C)c1ccc(F)cc1
InChIInChI=1S/C14H20FN3O2/c1-4-16-14(20)18-13(19)10(3)17-9(2)11-5-7-12(15)8-6-11/h5-10,17H,4H2,1-3H3,(H2,16,18,19,20)/t9-,10?/m0/s1
InChIKeyKSIFWSYIHPZHFN-RGURZIINSA-N
MW281.33 g/mol
LogP1.71
Rot. Bonds5

About N-(ethylcarbamoyl)-2-[[(1S)-1-(4-fluorophenyl)ethyl]amino]propanamide

N-(ethylcarbamoyl)-2-[[(1S)-1-(4-fluorophenyl)ethyl]amino]propanamide (PubChem CID 81347825) has the molecular formula C14H20FN3O2 and a molecular weight of 281.33 g/mol. Its IUPAC name is N-(ethylcarbamoyl)-2-[[(1S)-1-(4-fluorophenyl)ethyl]amino]propanamide.

Molecular Properties

Compound NameN-(ethylcarbamoyl)-2-[[(1S)-1-(4-fluorophenyl)ethyl]amino]propanamide
PubChem CID81347825
Molecular FormulaC14H20FN3O2
Molecular Weight281.33 g/mol
Exact Mass281.15
IUPAC NameN-(ethylcarbamoyl)-2-[[(1S)-1-(4-fluorophenyl)ethyl]amino]propanamide
SMILESCCNC(=O)NC(=O)C(C)N[C@@H](C)c1ccc(F)cc1
InChIInChI=1S/C14H20FN3O2/c1-4-16-14(20)18-13(19)10(3)17-9(2)11-5-7-12(15)8-6-11/h5-10,17H,4H2,1-3H3,(H2,16,18,19,20)/t9-,10?/m0/s1
InChIKeyKSIFWSYIHPZHFN-RGURZIINSA-N
XLogP1.71
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.33
LogP ≤ 51.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(ethylcarbamoyl)-2-[[(1S)-1-pyridin-4-ylethyl]amino]propanamide
CID 81406042
N-(ethylcarbamoyl)-2-[[(1R)-1-pyridin-4-ylethyl]amino]propanamide
CID 81409955
2-[[(1R)-1-(4-fluorophenyl)ethyl]amino]-N-propan-2-ylpropanamide
CID 81347234
N-(ethylcarbamoyl)-2-[1-(3-propan-2-yloxyphenyl)ethylamino]propanamide
CID 51088764
2-[[(1S)-1-(4-bromophenyl)ethyl]amino]-N-ethylpropanamide
CID 81360050
2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]-N-ethylpropanamide
CID 81352154
N-ethyl-2-[[(1R)-1-phenylethyl]amino]propanamide
CID 78952919
2-(2,5-difluoroanilino)-N-(ethylcarbamoyl)propanamide
CID 43083937
N-(ethylcarbamoyl)-2-[(1S)-1-(4-fluorophenyl)ethyl]sulfanylacetamide
CID 94217661
N-(ethylcarbamoyl)-2-(N-ethyl-4-fluoroanilino)propanamide
CID 78818776
methyl 2-[1-(4-fluorophenyl)ethylamino]propanoate
CID 60677237
2-(2-chloro-5-fluoroanilino)-N-(ethylcarbamoyl)propanamide
CID 107528257

Frequently Asked Questions

What is the IUPAC name of N-(ethylcarbamoyl)-2-[[(1S)-1-(4-fluorophenyl)ethyl]amino]propanamide?
The IUPAC name of N-(ethylcarbamoyl)-2-[[(1S)-1-(4-fluorophenyl)ethyl]amino]propanamide (CID 81347825) is N-(ethylcarbamoyl)-2-[[(1S)-1-(4-fluorophenyl)ethyl]amino]propanamide.
What is the SMILES notation for N-(ethylcarbamoyl)-2-[[(1S)-1-(4-fluorophenyl)ethyl]amino]propanamide?
The canonical SMILES for N-(ethylcarbamoyl)-2-[[(1S)-1-(4-fluorophenyl)ethyl]amino]propanamide is CCNC(=O)NC(=O)C(C)N[C@@H](C)c1ccc(F)cc1.
What is the InChIKey of N-(ethylcarbamoyl)-2-[[(1S)-1-(4-fluorophenyl)ethyl]amino]propanamide?
The InChIKey is KSIFWSYIHPZHFN-RGURZIINSA-N. The full InChI is InChI=1S/C14H20FN3O2/c1-4-16-14(20)18-13(19)10(3)17-9(2)11-5-7-12(15)8-6-11/h5-10,17H,4H2,1-3H3,(H2,16,18,19,20)/t9-,10?/m0/s1.
What are the key properties of N-(ethylcarbamoyl)-2-[[(1S)-1-(4-fluorophenyl)ethyl]amino]propanamide?
N-(ethylcarbamoyl)-2-[[(1S)-1-(4-fluorophenyl)ethyl]amino]propanamide has a molecular weight of 281.33 g/mol, XLogP of 1.71, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(ethylcarbamoyl)-2-[[(1S)-1-(4-fluorophenyl)ethyl]amino]propanamide is sourced from PubChem (CID 81347825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).