(2S)-3-amino-2-[2,2-difluoroethyl(ethyl)amino]-N-[2-(difluoromethoxy)-4-(3-oxomorpholin-4-yl)phenyl]propanamide

C18H24F4N4O4 — CID 87868544

IUPAC(2S)-3-amino-2-[2,2-difluoroethyl(ethyl)amino]-N-[2-(difluoromethoxy)-4-(3-oxomorpholin-4-yl)phenyl]propanamide
SMILESCCN(CC(F)F)[C@@H](CN)C(=O)Nc1ccc(N2CCOCC2=O)cc1OC(F)F
InChIInChI=1S/C18H24F4N4O4/c1-2-25(9-15(19)20)13(8-23)17(28)24-12-4-3-11(7-14(12)30-18(21)22)26-5-6-29-10-16(26)27/h3-4,7,13,15,18H,2,5-6,8-10,23H2,1H3,(H,24,28)/t13-/m0/s1
InChIKeyBQSHCMULYXJEQE-ZDUSSCGKSA-N
MW436.41 g/mol
LogP1.50
Rot. Bonds10

About (2S)-3-amino-2-[2,2-difluoroethyl(ethyl)amino]-N-[2-(difluoromethoxy)-4-(3-oxomorpholin-4-yl)phenyl]propanamide

(2S)-3-amino-2-[2,2-difluoroethyl(ethyl)amino]-N-[2-(difluoromethoxy)-4-(3-oxomorpholin-4-yl)phenyl]propanamide (PubChem CID 87868544) has the molecular formula C18H24F4N4O4 and a molecular weight of 436.41 g/mol. Its IUPAC name is (2S)-3-amino-2-[2,2-difluoroethyl(ethyl)amino]-N-[2-(difluoromethoxy)-4-(3-oxomorpholin-4-yl)phenyl]propanamide.

Molecular Properties

Compound Name(2S)-3-amino-2-[2,2-difluoroethyl(ethyl)amino]-N-[2-(difluoromethoxy)-4-(3-oxomorpholin-4-yl)phenyl]propanamide
PubChem CID87868544
Molecular FormulaC18H24F4N4O4
Molecular Weight436.41 g/mol
Exact Mass436.17
IUPAC Name(2S)-3-amino-2-[2,2-difluoroethyl(ethyl)amino]-N-[2-(difluoromethoxy)-4-(3-oxomorpholin-4-yl)phenyl]propanamide
SMILESCCN(CC(F)F)[C@@H](CN)C(=O)Nc1ccc(N2CCOCC2=O)cc1OC(F)F
InChIInChI=1S/C18H24F4N4O4/c1-2-25(9-15(19)20)13(8-23)17(28)24-12-4-3-11(7-14(12)30-18(21)22)26-5-6-29-10-16(26)27/h3-4,7,13,15,18H,2,5-6,8-10,23H2,1H3,(H,24,28)/t13-/m0/s1
InChIKeyBQSHCMULYXJEQE-ZDUSSCGKSA-N
XLogP1.50
TPSA97.13 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.41
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze (2S)-3-amino-2-[2,2-difluoroethyl(ethyl)amino]-N-[2-(difluoromethoxy)-4-(3-oxomorpholin-4-yl)phenyl]propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-3-amino-2-[cyclobutylmethyl(2,2-difluoroethyl)amino]-N-[2-(difluoromethoxy)-4-(3-oxomorpholin-4-yl)phenyl]propanamide
CID 87869104
(2S)-3-amino-2-[2,2-difluoroethyl(ethyl)amino]-N-[2-fluoro-4-(3-oxomorpholin-4-yl)phenyl]propanamide
CID 87868730
(2S)-3-amino-2-[cyclobutyl(2,2-difluoroethyl)amino]-N-[2-(difluoromethoxy)-4-(3-oxomorpholin-4-yl)phenyl]propanamide
CID 87869015
(2R)-3-amino-2-[2,2-difluoroethyl(2,2,2-trifluoroethyl)amino]-N-[2-(difluoromethyl)-4-(3-oxomorpholin-4-yl)phenyl]propanamide
CID 87868391
(2S)-3-amino-2-[ethyl(2,2,2-trifluoroethyl)amino]-N-[4-(3-oxomorpholin-4-yl)-2-(trifluoromethyl)phenyl]propanamide
CID 87868820
(2S)-3-amino-2-[cyclopropylmethyl(2,2-difluoroethyl)amino]-N-[3-(difluoromethoxy)-4-(3-oxomorpholin-4-yl)phenyl]propanamide
CID 87869022
N-[(2S)-2-[bis(2-methylpropyl)amino]-3-[2-(difluoromethoxy)-4-(3-oxomorpholin-4-yl)anilino]-3-oxopropyl]-5-chlorothiophene-2-carboxamide
CID 91160168
5-chloro-N-[(2S)-2-[cyclobutylmethyl(2,2-difluoroethyl)amino]-3-[2-(difluoromethoxy)-4-(3-oxomorpholin-4-yl)anilino]-3-oxopropyl]thiophene-2-carboxamide
CID 91256786
N-[(2S)-2-[bis(2,2-dimethylpropyl)amino]-3-[2-(difluoromethoxy)-4-(3-oxomorpholin-4-yl)anilino]-3-oxopropyl]-5-chlorothiophene-2-carboxamide
CID 91210062
5-chloro-N-[(2R)-2-[2,2-difluoroethyl(ethyl)amino]-3-oxo-3-[4-(3-oxomorpholin-4-yl)-2-(trifluoromethyl)anilino]propyl]thiophene-2-carboxamide
CID 90926805
(2S)-3-amino-2-[cyclobutylmethyl(2,2-difluoroethyl)amino]-N-[4-(3-oxomorpholin-4-yl)phenyl]propanamide
CID 87868697
5-chloro-N-[(2S)-2-[cyclopropyl(methyl)amino]-3-[2-(difluoromethoxy)-4-(3-oxomorpholin-4-yl)anilino]-3-oxopropyl]thiophene-2-carboxamide
CID 140517742

Frequently Asked Questions

What is the IUPAC name of (2S)-3-amino-2-[2,2-difluoroethyl(ethyl)amino]-N-[2-(difluoromethoxy)-4-(3-oxomorpholin-4-yl)phenyl]propanamide?
The IUPAC name of (2S)-3-amino-2-[2,2-difluoroethyl(ethyl)amino]-N-[2-(difluoromethoxy)-4-(3-oxomorpholin-4-yl)phenyl]propanamide (CID 87868544) is (2S)-3-amino-2-[2,2-difluoroethyl(ethyl)amino]-N-[2-(difluoromethoxy)-4-(3-oxomorpholin-4-yl)phenyl]propanamide.
What is the SMILES notation for (2S)-3-amino-2-[2,2-difluoroethyl(ethyl)amino]-N-[2-(difluoromethoxy)-4-(3-oxomorpholin-4-yl)phenyl]propanamide?
The canonical SMILES for (2S)-3-amino-2-[2,2-difluoroethyl(ethyl)amino]-N-[2-(difluoromethoxy)-4-(3-oxomorpholin-4-yl)phenyl]propanamide is CCN(CC(F)F)[C@@H](CN)C(=O)Nc1ccc(N2CCOCC2=O)cc1OC(F)F.
What is the InChIKey of (2S)-3-amino-2-[2,2-difluoroethyl(ethyl)amino]-N-[2-(difluoromethoxy)-4-(3-oxomorpholin-4-yl)phenyl]propanamide?
The InChIKey is BQSHCMULYXJEQE-ZDUSSCGKSA-N. The full InChI is InChI=1S/C18H24F4N4O4/c1-2-25(9-15(19)20)13(8-23)17(28)24-12-4-3-11(7-14(12)30-18(21)22)26-5-6-29-10-16(26)27/h3-4,7,13,15,18H,2,5-6,8-10,23H2,1H3,(H,24,28)/t13-/m0/s1.
What are the key properties of (2S)-3-amino-2-[2,2-difluoroethyl(ethyl)amino]-N-[2-(difluoromethoxy)-4-(3-oxomorpholin-4-yl)phenyl]propanamide?
(2S)-3-amino-2-[2,2-difluoroethyl(ethyl)amino]-N-[2-(difluoromethoxy)-4-(3-oxomorpholin-4-yl)phenyl]propanamide has a molecular weight of 436.41 g/mol, XLogP of 1.50, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-amino-2-[2,2-difluoroethyl(ethyl)amino]-N-[2-(difluoromethoxy)-4-(3-oxomorpholin-4-yl)phenyl]propanamide is sourced from PubChem (CID 87868544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).