N-[3-[[(1S)-2-amino-1-(3-fluorophenyl)-2-oxoethyl]-methylamino]-3-oxopropyl]-2,2-dimethylpropanamide

C17H24FN3O3 — CID 95348415

IUPACN-[3-[[(1S)-2-amino-1-(3-fluorophenyl)-2-oxoethyl]-methylamino]-3-oxopropyl]-2,2-dimethylpropanamide
SMILESCN(C(=O)CCNC(=O)C(C)(C)C)[C@H](C(N)=O)c1cccc(F)c1
InChIInChI=1S/C17H24FN3O3/c1-17(2,3)16(24)20-9-8-13(22)21(4)14(15(19)23)11-6-5-7-12(18)10-11/h5-7,10,14H,8-9H2,1-4H3,(H2,19,23)(H,20,24)/t14-/m0/s1
InChIKeyACZTXAAVQJFOTR-AWEZNQCLSA-N
MW337.40 g/mol
LogP1.36
Rot. Bonds6

About N-[3-[[(1S)-2-amino-1-(3-fluorophenyl)-2-oxoethyl]-methylamino]-3-oxopropyl]-2,2-dimethylpropanamide

N-[3-[[(1S)-2-amino-1-(3-fluorophenyl)-2-oxoethyl]-methylamino]-3-oxopropyl]-2,2-dimethylpropanamide (PubChem CID 95348415) has the molecular formula C17H24FN3O3 and a molecular weight of 337.40 g/mol. Its IUPAC name is N-[3-[[(1S)-2-amino-1-(3-fluorophenyl)-2-oxoethyl]-methylamino]-3-oxopropyl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[3-[[(1S)-2-amino-1-(3-fluorophenyl)-2-oxoethyl]-methylamino]-3-oxopropyl]-2,2-dimethylpropanamide
PubChem CID95348415
Molecular FormulaC17H24FN3O3
Molecular Weight337.40 g/mol
Exact Mass337.18
IUPAC NameN-[3-[[(1S)-2-amino-1-(3-fluorophenyl)-2-oxoethyl]-methylamino]-3-oxopropyl]-2,2-dimethylpropanamide
SMILESCN(C(=O)CCNC(=O)C(C)(C)C)[C@H](C(N)=O)c1cccc(F)c1
InChIInChI=1S/C17H24FN3O3/c1-17(2,3)16(24)20-9-8-13(22)21(4)14(15(19)23)11-6-5-7-12(18)10-11/h5-7,10,14H,8-9H2,1-4H3,(H2,19,23)(H,20,24)/t14-/m0/s1
InChIKeyACZTXAAVQJFOTR-AWEZNQCLSA-N
XLogP1.36
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.40
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 56566530
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CID 72849600
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(2S)-2-[[2-(benzotriazol-1-yl)acetyl]-methylamino]-2-(3-fluorophenyl)acetamide
CID 95330771
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CID 86886859
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CID 56566339
2-(3-fluorophenyl)-2-[[4-(hydroxymethyl)phenyl]methyl-methylamino]acetamide
CID 110009403
2-(ethylamino)-2-(3-fluorophenyl)acetamide
CID 60786563
N-[2-amino-1-(3-fluorophenyl)-2-oxoethyl]-3-(benzenesulfonylmethyl)-N-methylbenzamide
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Frequently Asked Questions

What is the IUPAC name of N-[3-[[(1S)-2-amino-1-(3-fluorophenyl)-2-oxoethyl]-methylamino]-3-oxopropyl]-2,2-dimethylpropanamide?
The IUPAC name of N-[3-[[(1S)-2-amino-1-(3-fluorophenyl)-2-oxoethyl]-methylamino]-3-oxopropyl]-2,2-dimethylpropanamide (CID 95348415) is N-[3-[[(1S)-2-amino-1-(3-fluorophenyl)-2-oxoethyl]-methylamino]-3-oxopropyl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[3-[[(1S)-2-amino-1-(3-fluorophenyl)-2-oxoethyl]-methylamino]-3-oxopropyl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[3-[[(1S)-2-amino-1-(3-fluorophenyl)-2-oxoethyl]-methylamino]-3-oxopropyl]-2,2-dimethylpropanamide is CN(C(=O)CCNC(=O)C(C)(C)C)[C@H](C(N)=O)c1cccc(F)c1.
What is the InChIKey of N-[3-[[(1S)-2-amino-1-(3-fluorophenyl)-2-oxoethyl]-methylamino]-3-oxopropyl]-2,2-dimethylpropanamide?
The InChIKey is ACZTXAAVQJFOTR-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H24FN3O3/c1-17(2,3)16(24)20-9-8-13(22)21(4)14(15(19)23)11-6-5-7-12(18)10-11/h5-7,10,14H,8-9H2,1-4H3,(H2,19,23)(H,20,24)/t14-/m0/s1.
What are the key properties of N-[3-[[(1S)-2-amino-1-(3-fluorophenyl)-2-oxoethyl]-methylamino]-3-oxopropyl]-2,2-dimethylpropanamide?
N-[3-[[(1S)-2-amino-1-(3-fluorophenyl)-2-oxoethyl]-methylamino]-3-oxopropyl]-2,2-dimethylpropanamide has a molecular weight of 337.40 g/mol, XLogP of 1.36, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[(1S)-2-amino-1-(3-fluorophenyl)-2-oxoethyl]-methylamino]-3-oxopropyl]-2,2-dimethylpropanamide is sourced from PubChem (CID 95348415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).