N-[2-[(2-fluoroacetyl)-(3-phenylpropyl)amino]ethyl]-2,4-dihydroxy-3,3-dimethylbutanamide

C19H29FN2O4 — CID 123708494

IUPACN-[2-[(2-fluoroacetyl)-(3-phenylpropyl)amino]ethyl]-2,4-dihydroxy-3,3-dimethylbutanamide
SMILESCC(C)(CO)C(O)C(=O)NCCN(CCCc1ccccc1)C(=O)CF
InChIInChI=1S/C19H29FN2O4/c1-19(2,14-23)17(25)18(26)21-10-12-22(16(24)13-20)11-6-9-15-7-4-3-5-8-15/h3-5,7-8,17,23,25H,6,9-14H2,1-2H3,(H,21,26)
InChIKeyYONDKVCQXJTTAY-UHFFFAOYSA-N
MW368.45 g/mol
LogP0.91
Rot. Bonds11

About N-[2-[(2-fluoroacetyl)-(3-phenylpropyl)amino]ethyl]-2,4-dihydroxy-3,3-dimethylbutanamide

N-[2-[(2-fluoroacetyl)-(3-phenylpropyl)amino]ethyl]-2,4-dihydroxy-3,3-dimethylbutanamide (PubChem CID 123708494) has the molecular formula C19H29FN2O4 and a molecular weight of 368.45 g/mol. Its IUPAC name is N-[2-[(2-fluoroacetyl)-(3-phenylpropyl)amino]ethyl]-2,4-dihydroxy-3,3-dimethylbutanamide.

Molecular Properties

Compound NameN-[2-[(2-fluoroacetyl)-(3-phenylpropyl)amino]ethyl]-2,4-dihydroxy-3,3-dimethylbutanamide
PubChem CID123708494
Molecular FormulaC19H29FN2O4
Molecular Weight368.45 g/mol
Exact Mass368.21
IUPAC NameN-[2-[(2-fluoroacetyl)-(3-phenylpropyl)amino]ethyl]-2,4-dihydroxy-3,3-dimethylbutanamide
SMILESCC(C)(CO)C(O)C(=O)NCCN(CCCc1ccccc1)C(=O)CF
InChIInChI=1S/C19H29FN2O4/c1-19(2,14-23)17(25)18(26)21-10-12-22(16(24)13-20)11-6-9-15-7-4-3-5-8-15/h3-5,7-8,17,23,25H,6,9-14H2,1-2H3,(H,21,26)
InChIKeyYONDKVCQXJTTAY-UHFFFAOYSA-N
XLogP0.91
TPSA89.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.45
LogP ≤ 50.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2,4-dihydroxy-3,3-dimethyl-N-[3-[methyl(2-phenylethyl)amino]-3-oxopropyl]butanamide
CID 155543448
(2R)-2,4-dihydroxy-3,3-dimethyl-N-(4-phenoxybutyl)butanamide
CID 125469748
N-[4-(benzylamino)-3,4-dioxobutyl]-2,4-dihydroxy-3,3-dimethylbutanamide
CID 118272081
(2R)-N-[2-[(2-chloroacetyl)-[2-[4-(methylamino)phenoxy]ethyl]amino]ethyl]-2,4-dihydroxy-3,3-dimethylbutanamide
CID 144594731
(2R)-N-[2-(4-chlorophenyl)ethyl]-2,4-dihydroxy-3,3-dimethylbutanamide
CID 125469715
(2R)-2,4-dihydroxy-3,3-dimethyl-N-[[5-(2-phenylethyl)-1,2-oxazol-3-yl]methyl]butanamide
CID 164616667
[(6R)-6,8-dihydroxy-7,7-dimethyl-5-oxooctyl] 4-phenylbutanoate
CID 58280602
(2R)-2,4-dihydroxy-3,3-dimethyl-N-(6-naphthalen-1-yl-3,4-dioxohexyl)butanamide
CID 148588467
N-[2-(dimethylamino)ethyl]-2,2-dimethyl-N'-(3-phenylpropyl)propanediamide
CID 108960228
2,2-dimethyl-N-[2-[methylsulfonyl(3-phenylpropyl)amino]ethyl]propanamide
CID 113067937
3-[[(2R)-2,4-dihydroxy-3,3-dimethylbutanoyl](15N)amino](313C)propanoic acid
CID 101257666
N-[2-[acetyl(3-phenylpropyl)amino]ethyl]-2,3,4-trifluorobenzamide
CID 113056455

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2-fluoroacetyl)-(3-phenylpropyl)amino]ethyl]-2,4-dihydroxy-3,3-dimethylbutanamide?
The IUPAC name of N-[2-[(2-fluoroacetyl)-(3-phenylpropyl)amino]ethyl]-2,4-dihydroxy-3,3-dimethylbutanamide (CID 123708494) is N-[2-[(2-fluoroacetyl)-(3-phenylpropyl)amino]ethyl]-2,4-dihydroxy-3,3-dimethylbutanamide.
What is the SMILES notation for N-[2-[(2-fluoroacetyl)-(3-phenylpropyl)amino]ethyl]-2,4-dihydroxy-3,3-dimethylbutanamide?
The canonical SMILES for N-[2-[(2-fluoroacetyl)-(3-phenylpropyl)amino]ethyl]-2,4-dihydroxy-3,3-dimethylbutanamide is CC(C)(CO)C(O)C(=O)NCCN(CCCc1ccccc1)C(=O)CF.
What is the InChIKey of N-[2-[(2-fluoroacetyl)-(3-phenylpropyl)amino]ethyl]-2,4-dihydroxy-3,3-dimethylbutanamide?
The InChIKey is YONDKVCQXJTTAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29FN2O4/c1-19(2,14-23)17(25)18(26)21-10-12-22(16(24)13-20)11-6-9-15-7-4-3-5-8-15/h3-5,7-8,17,23,25H,6,9-14H2,1-2H3,(H,21,26).
What are the key properties of N-[2-[(2-fluoroacetyl)-(3-phenylpropyl)amino]ethyl]-2,4-dihydroxy-3,3-dimethylbutanamide?
N-[2-[(2-fluoroacetyl)-(3-phenylpropyl)amino]ethyl]-2,4-dihydroxy-3,3-dimethylbutanamide has a molecular weight of 368.45 g/mol, XLogP of 0.91, 11 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2-fluoroacetyl)-(3-phenylpropyl)amino]ethyl]-2,4-dihydroxy-3,3-dimethylbutanamide is sourced from PubChem (CID 123708494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).