2-[[(S)-[4-(difluoromethoxy)phenyl]-phenylmethyl]amino]-N-[2-(ethylamino)-2-oxoethyl]acetamide

C20H23F2N3O3 — CID 8830857

IUPAC2-[[(S)-[4-(difluoromethoxy)phenyl]-phenylmethyl]amino]-N-[2-(ethylamino)-2-oxoethyl]acetamide
SMILESCCNC(=O)CNC(=O)CN[C@@H](c1ccccc1)c1ccc(OC(F)F)cc1
InChIInChI=1S/C20H23F2N3O3/c1-2-23-17(26)12-24-18(27)13-25-19(14-6-4-3-5-7-14)15-8-10-16(11-9-15)28-20(21)22/h3-11,19-20,25H,2,12-13H2,1H3,(H,23,26)(H,24,27)/t19-/m0/s1
InChIKeyXUSRSLMWULZREW-IBGZPJMESA-N
MW391.42 g/mol
LogP2.22
Rot. Bonds10

About 2-[[(S)-[4-(difluoromethoxy)phenyl]-phenylmethyl]amino]-N-[2-(ethylamino)-2-oxoethyl]acetamide

2-[[(S)-[4-(difluoromethoxy)phenyl]-phenylmethyl]amino]-N-[2-(ethylamino)-2-oxoethyl]acetamide (PubChem CID 8830857) has the molecular formula C20H23F2N3O3 and a molecular weight of 391.42 g/mol. Its IUPAC name is 2-[[(S)-[4-(difluoromethoxy)phenyl]-phenylmethyl]amino]-N-[2-(ethylamino)-2-oxoethyl]acetamide.

Molecular Properties

Compound Name2-[[(S)-[4-(difluoromethoxy)phenyl]-phenylmethyl]amino]-N-[2-(ethylamino)-2-oxoethyl]acetamide
PubChem CID8830857
Molecular FormulaC20H23F2N3O3
Molecular Weight391.42 g/mol
Exact Mass391.17
IUPAC Name2-[[(S)-[4-(difluoromethoxy)phenyl]-phenylmethyl]amino]-N-[2-(ethylamino)-2-oxoethyl]acetamide
SMILESCCNC(=O)CNC(=O)CN[C@@H](c1ccccc1)c1ccc(OC(F)F)cc1
InChIInChI=1S/C20H23F2N3O3/c1-2-23-17(26)12-24-18(27)13-25-19(14-6-4-3-5-7-14)15-8-10-16(11-9-15)28-20(21)22/h3-11,19-20,25H,2,12-13H2,1H3,(H,23,26)(H,24,27)/t19-/m0/s1
InChIKeyXUSRSLMWULZREW-IBGZPJMESA-N
XLogP2.22
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.42
LogP ≤ 52.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[(R)-[4-(difluoromethoxy)phenyl]-phenylmethyl]amino]-N-[2-(methylamino)-2-oxoethyl]acetamide
CID 8830920
N-butyl-2-[[[4-(difluoromethoxy)phenyl]-phenylmethyl]amino]acetamide
CID 18088700
2-[[(R)-[4-(difluoromethoxy)phenyl]-phenylmethyl]amino]-N-prop-2-ynylacetamide
CID 8830778
N-[[(2R)-butan-2-yl]carbamoyl]-2-[[(R)-[4-(difluoromethoxy)phenyl]-phenylmethyl]amino]acetamide
CID 8720427
N-(3-acetylphenyl)-2-[[(S)-[4-(difluoromethoxy)phenyl]-phenylmethyl]amino]acetamide
CID 40894967
N'-[2-[[(R)-[4-(difluoromethoxy)phenyl]-phenylmethyl]amino]acetyl]furan-2-carbohydrazide
CID 8830525
N-(3-cyanothiophen-2-yl)-2-[[(R)-[4-(difluoromethoxy)phenyl]-phenylmethyl]amino]acetamide
CID 8720364
[(R)-[4-(difluoromethoxy)phenyl]-phenylmethyl]-[(2R)-1-(ethylamino)-1-oxopropan-2-yl]azanium
CID 8830749
[(S)-[4-(difluoromethoxy)phenyl]-phenylmethyl]-[(2R)-1-(ethylamino)-1-oxopropan-2-yl]azanium
CID 8830727
[2-[[(S)-[4-(difluoromethoxy)phenyl]-phenylmethyl]amino]-2-oxoethyl] propanoate
CID 9015107
2-[[(R)-[4-(difluoromethoxy)phenyl]-phenylmethyl]amino]-N-(4-morpholin-4-ylphenyl)acetamide
CID 33072186
2-[[2-(benzhydrylamino)acetyl]amino]acetamide
CID 8596592

Frequently Asked Questions

What is the IUPAC name of 2-[[(S)-[4-(difluoromethoxy)phenyl]-phenylmethyl]amino]-N-[2-(ethylamino)-2-oxoethyl]acetamide?
The IUPAC name of 2-[[(S)-[4-(difluoromethoxy)phenyl]-phenylmethyl]amino]-N-[2-(ethylamino)-2-oxoethyl]acetamide (CID 8830857) is 2-[[(S)-[4-(difluoromethoxy)phenyl]-phenylmethyl]amino]-N-[2-(ethylamino)-2-oxoethyl]acetamide.
What is the SMILES notation for 2-[[(S)-[4-(difluoromethoxy)phenyl]-phenylmethyl]amino]-N-[2-(ethylamino)-2-oxoethyl]acetamide?
The canonical SMILES for 2-[[(S)-[4-(difluoromethoxy)phenyl]-phenylmethyl]amino]-N-[2-(ethylamino)-2-oxoethyl]acetamide is CCNC(=O)CNC(=O)CN[C@@H](c1ccccc1)c1ccc(OC(F)F)cc1.
What is the InChIKey of 2-[[(S)-[4-(difluoromethoxy)phenyl]-phenylmethyl]amino]-N-[2-(ethylamino)-2-oxoethyl]acetamide?
The InChIKey is XUSRSLMWULZREW-IBGZPJMESA-N. The full InChI is InChI=1S/C20H23F2N3O3/c1-2-23-17(26)12-24-18(27)13-25-19(14-6-4-3-5-7-14)15-8-10-16(11-9-15)28-20(21)22/h3-11,19-20,25H,2,12-13H2,1H3,(H,23,26)(H,24,27)/t19-/m0/s1.
What are the key properties of 2-[[(S)-[4-(difluoromethoxy)phenyl]-phenylmethyl]amino]-N-[2-(ethylamino)-2-oxoethyl]acetamide?
2-[[(S)-[4-(difluoromethoxy)phenyl]-phenylmethyl]amino]-N-[2-(ethylamino)-2-oxoethyl]acetamide has a molecular weight of 391.42 g/mol, XLogP of 2.22, 10 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(S)-[4-(difluoromethoxy)phenyl]-phenylmethyl]amino]-N-[2-(ethylamino)-2-oxoethyl]acetamide is sourced from PubChem (CID 8830857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).