(2S)-N-[4-(difluoromethoxy)phenyl]-2-[ethyl-[2-(4-methoxyanilino)-2-oxoethyl]amino]propanamide

C21H25F2N3O4 — CID 37425693

IUPAC(2S)-N-[4-(difluoromethoxy)phenyl]-2-[ethyl-[2-(4-methoxyanilino)-2-oxoethyl]amino]propanamide
SMILESCCN(CC(=O)Nc1ccc(OC)cc1)[C@@H](C)C(=O)Nc1ccc(OC(F)F)cc1
InChIInChI=1S/C21H25F2N3O4/c1-4-26(13-19(27)24-15-5-9-17(29-3)10-6-15)14(2)20(28)25-16-7-11-18(12-8-16)30-21(22)23/h5-12,14,21H,4,13H2,1-3H3,(H,24,27)(H,25,28)/t14-/m0/s1
InChIKeyFFJIPQXDRIHSAM-AWEZNQCLSA-N
MW421.44 g/mol
LogP3.58
Rot. Bonds10

About (2S)-N-[4-(difluoromethoxy)phenyl]-2-[ethyl-[2-(4-methoxyanilino)-2-oxoethyl]amino]propanamide

(2S)-N-[4-(difluoromethoxy)phenyl]-2-[ethyl-[2-(4-methoxyanilino)-2-oxoethyl]amino]propanamide (PubChem CID 37425693) has the molecular formula C21H25F2N3O4 and a molecular weight of 421.44 g/mol. Its IUPAC name is (2S)-N-[4-(difluoromethoxy)phenyl]-2-[ethyl-[2-(4-methoxyanilino)-2-oxoethyl]amino]propanamide.

Molecular Properties

Compound Name(2S)-N-[4-(difluoromethoxy)phenyl]-2-[ethyl-[2-(4-methoxyanilino)-2-oxoethyl]amino]propanamide
PubChem CID37425693
Molecular FormulaC21H25F2N3O4
Molecular Weight421.44 g/mol
Exact Mass421.18
IUPAC Name(2S)-N-[4-(difluoromethoxy)phenyl]-2-[ethyl-[2-(4-methoxyanilino)-2-oxoethyl]amino]propanamide
SMILESCCN(CC(=O)Nc1ccc(OC)cc1)[C@@H](C)C(=O)Nc1ccc(OC(F)F)cc1
InChIInChI=1S/C21H25F2N3O4/c1-4-26(13-19(27)24-15-5-9-17(29-3)10-6-15)14(2)20(28)25-16-7-11-18(12-8-16)30-21(22)23/h5-12,14,21H,4,13H2,1-3H3,(H,24,27)(H,25,28)/t14-/m0/s1
InChIKeyFFJIPQXDRIHSAM-AWEZNQCLSA-N
XLogP3.58
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.44
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[ethyl-[2-(4-methoxyanilino)-2-oxoethyl]amino]-N-(4-ethylphenyl)propanamide
CID 18078718
(2R)-2-[ethyl-[2-(4-methoxyanilino)-2-oxoethyl]amino]-N-naphthalen-2-ylpropanamide
CID 9027057
2-[ethyl-[2-(4-methoxyanilino)-2-oxoethyl]amino]-N-(3-fluoro-4-methylphenyl)propanamide
CID 18094701
N-[4-(difluoromethoxy)phenyl]-2-[ethyl(2-hydroxyethyl)amino]propanamide
CID 110881217
N-(2-chloro-4-fluorophenyl)-2-[ethyl-[2-(4-methoxyanilino)-2-oxoethyl]amino]propanamide
CID 16555013
2-[ethyl-[2-(4-methoxyanilino)-2-oxoethyl]amino]-N-(thiophen-2-ylmethyl)propanamide
CID 18094706
3-[ethyl-[1-(4-methoxyanilino)-1-oxopropan-2-yl]amino]propanoic acid
CID 82326722
N-[4-(difluoromethoxy)phenyl]-2-(4-methoxyanilino)propanamide
CID 17464128
2-[(2-anilino-2-oxoethyl)-methylamino]-N-(4-methoxyphenyl)propanamide
CID 86979725
2-[[(2R)-1-[(2R,6S)-2,6-dimethylpiperidin-1-yl]-1-oxopropan-2-yl]-ethylamino]-N-(4-methoxyphenyl)acetamide
CID 11935742
(2R)-N-(4-bromophenyl)-2-[[2-(4-methoxyanilino)-2-oxoethyl]-methylamino]propanamide
CID 7993669
N-(4-tert-butylphenyl)-2-[[2-(4-methoxyanilino)-2-oxoethyl]-methylamino]propanamide
CID 17438079

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[4-(difluoromethoxy)phenyl]-2-[ethyl-[2-(4-methoxyanilino)-2-oxoethyl]amino]propanamide?
The IUPAC name of (2S)-N-[4-(difluoromethoxy)phenyl]-2-[ethyl-[2-(4-methoxyanilino)-2-oxoethyl]amino]propanamide (CID 37425693) is (2S)-N-[4-(difluoromethoxy)phenyl]-2-[ethyl-[2-(4-methoxyanilino)-2-oxoethyl]amino]propanamide.
What is the SMILES notation for (2S)-N-[4-(difluoromethoxy)phenyl]-2-[ethyl-[2-(4-methoxyanilino)-2-oxoethyl]amino]propanamide?
The canonical SMILES for (2S)-N-[4-(difluoromethoxy)phenyl]-2-[ethyl-[2-(4-methoxyanilino)-2-oxoethyl]amino]propanamide is CCN(CC(=O)Nc1ccc(OC)cc1)[C@@H](C)C(=O)Nc1ccc(OC(F)F)cc1.
What is the InChIKey of (2S)-N-[4-(difluoromethoxy)phenyl]-2-[ethyl-[2-(4-methoxyanilino)-2-oxoethyl]amino]propanamide?
The InChIKey is FFJIPQXDRIHSAM-AWEZNQCLSA-N. The full InChI is InChI=1S/C21H25F2N3O4/c1-4-26(13-19(27)24-15-5-9-17(29-3)10-6-15)14(2)20(28)25-16-7-11-18(12-8-16)30-21(22)23/h5-12,14,21H,4,13H2,1-3H3,(H,24,27)(H,25,28)/t14-/m0/s1.
What are the key properties of (2S)-N-[4-(difluoromethoxy)phenyl]-2-[ethyl-[2-(4-methoxyanilino)-2-oxoethyl]amino]propanamide?
(2S)-N-[4-(difluoromethoxy)phenyl]-2-[ethyl-[2-(4-methoxyanilino)-2-oxoethyl]amino]propanamide has a molecular weight of 421.44 g/mol, XLogP of 3.58, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[4-(difluoromethoxy)phenyl]-2-[ethyl-[2-(4-methoxyanilino)-2-oxoethyl]amino]propanamide is sourced from PubChem (CID 37425693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).