(2R)-N-tert-butyl-2-[(2-fluoro-4-propan-2-yloxyphenyl)carbamoylamino]propanamide

C17H26FN3O3 — CID 95300771

IUPAC(2R)-N-tert-butyl-2-[(2-fluoro-4-propan-2-yloxyphenyl)carbamoylamino]propanamide
SMILESCC(C)Oc1ccc(NC(=O)N[C@H](C)C(=O)NC(C)(C)C)c(F)c1
InChIInChI=1S/C17H26FN3O3/c1-10(2)24-12-7-8-14(13(18)9-12)20-16(23)19-11(3)15(22)21-17(4,5)6/h7-11H,1-6H3,(H,21,22)(H2,19,20,23)/t11-/m1/s1
InChIKeyLOFYUEWCBIVTPG-LLVKDONJSA-N
MW339.41 g/mol
LogP3.04
Rot. Bonds5

About (2R)-N-tert-butyl-2-[(2-fluoro-4-propan-2-yloxyphenyl)carbamoylamino]propanamide

(2R)-N-tert-butyl-2-[(2-fluoro-4-propan-2-yloxyphenyl)carbamoylamino]propanamide (PubChem CID 95300771) has the molecular formula C17H26FN3O3 and a molecular weight of 339.41 g/mol. Its IUPAC name is (2R)-N-tert-butyl-2-[(2-fluoro-4-propan-2-yloxyphenyl)carbamoylamino]propanamide.

Molecular Properties

Compound Name(2R)-N-tert-butyl-2-[(2-fluoro-4-propan-2-yloxyphenyl)carbamoylamino]propanamide
PubChem CID95300771
Molecular FormulaC17H26FN3O3
Molecular Weight339.41 g/mol
Exact Mass339.20
IUPAC Name(2R)-N-tert-butyl-2-[(2-fluoro-4-propan-2-yloxyphenyl)carbamoylamino]propanamide
SMILESCC(C)Oc1ccc(NC(=O)N[C@H](C)C(=O)NC(C)(C)C)c(F)c1
InChIInChI=1S/C17H26FN3O3/c1-10(2)24-12-7-8-14(13(18)9-12)20-16(23)19-11(3)15(22)21-17(4,5)6/h7-11H,1-6H3,(H,21,22)(H2,19,20,23)/t11-/m1/s1
InChIKeyLOFYUEWCBIVTPG-LLVKDONJSA-N
XLogP3.04
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.41
LogP ≤ 53.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-N-tert-butyl-2-[[4-(difluoromethoxy)phenyl]carbamoylamino]propanamide
CID 95298417
(2S)-2-amino-N-(2-fluoro-4-propan-2-yloxyphenyl)propanamide
CID 119308643
3-[(2-fluoro-4-propan-2-yloxyphenyl)carbamoylamino]-2-hydroxy-2-methylpropanoic acid
CID 122078377
2-amino-N-(2-fluoro-4-propan-2-yloxyphenyl)acetamide;hydrochloride
CID 119308646
2-amino-N-(2-fluoro-4-propan-2-yloxyphenyl)-2-methylpentanamide
CID 119757908
(2R)-N-[(2R)-butan-2-yl]-2-[(2-methyl-4-propan-2-yloxyphenyl)carbamoylamino]propanamide
CID 94962141
4-[[(2R)-1-(tert-butylamino)-1-oxopropan-2-yl]carbamoylamino]-N,3-dimethylbenzamide
CID 95296510
2-[(2,4-difluorophenyl)carbamoylamino]propanoic acid
CID 43288482
(2S)-2-[(2,4-difluorophenyl)carbamoylamino]-N-ethylpropanamide
CID 92541927
N-(2-fluoro-4-propan-2-yloxyphenyl)-4-(1-hydroxyethyl)piperidine-1-carboxamide
CID 111113108
N-(2-fluoro-4-propan-2-yloxyphenyl)piperidine-4-carboxamide;hydrochloride
CID 119308648
1-(4-chloro-2-fluorophenyl)-3-[(1R)-1-(4-methoxyphenyl)ethyl]urea
CID 29039114

Frequently Asked Questions

What is the IUPAC name of (2R)-N-tert-butyl-2-[(2-fluoro-4-propan-2-yloxyphenyl)carbamoylamino]propanamide?
The IUPAC name of (2R)-N-tert-butyl-2-[(2-fluoro-4-propan-2-yloxyphenyl)carbamoylamino]propanamide (CID 95300771) is (2R)-N-tert-butyl-2-[(2-fluoro-4-propan-2-yloxyphenyl)carbamoylamino]propanamide.
What is the SMILES notation for (2R)-N-tert-butyl-2-[(2-fluoro-4-propan-2-yloxyphenyl)carbamoylamino]propanamide?
The canonical SMILES for (2R)-N-tert-butyl-2-[(2-fluoro-4-propan-2-yloxyphenyl)carbamoylamino]propanamide is CC(C)Oc1ccc(NC(=O)N[C@H](C)C(=O)NC(C)(C)C)c(F)c1.
What is the InChIKey of (2R)-N-tert-butyl-2-[(2-fluoro-4-propan-2-yloxyphenyl)carbamoylamino]propanamide?
The InChIKey is LOFYUEWCBIVTPG-LLVKDONJSA-N. The full InChI is InChI=1S/C17H26FN3O3/c1-10(2)24-12-7-8-14(13(18)9-12)20-16(23)19-11(3)15(22)21-17(4,5)6/h7-11H,1-6H3,(H,21,22)(H2,19,20,23)/t11-/m1/s1.
What are the key properties of (2R)-N-tert-butyl-2-[(2-fluoro-4-propan-2-yloxyphenyl)carbamoylamino]propanamide?
(2R)-N-tert-butyl-2-[(2-fluoro-4-propan-2-yloxyphenyl)carbamoylamino]propanamide has a molecular weight of 339.41 g/mol, XLogP of 3.04, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-tert-butyl-2-[(2-fluoro-4-propan-2-yloxyphenyl)carbamoylamino]propanamide is sourced from PubChem (CID 95300771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).