methyl N-[1-[[(1R)-1-(2-fluoro-4,5-dimethoxyphenyl)ethyl]amino]-2-methyl-1-oxopropan-2-yl]carbamate

C16H23FN2O5 — CID 99808014

IUPACmethyl N-[1-[[(1R)-1-(2-fluoro-4,5-dimethoxyphenyl)ethyl]amino]-2-methyl-1-oxopropan-2-yl]carbamate
SMILESCOC(=O)NC(C)(C)C(=O)N[C@H](C)c1cc(OC)c(OC)cc1F
InChIInChI=1S/C16H23FN2O5/c1-9(18-14(20)16(2,3)19-15(21)24-6)10-7-12(22-4)13(23-5)8-11(10)17/h7-9H,1-6H3,(H,18,20)(H,19,21)/t9-/m1/s1
InChIKeyDYMVLJNKCBVCCE-SECBINFHSA-N
MW342.37 g/mol
LogP2.15
Rot. Bonds6

About methyl N-[1-[[(1R)-1-(2-fluoro-4,5-dimethoxyphenyl)ethyl]amino]-2-methyl-1-oxopropan-2-yl]carbamate

methyl N-[1-[[(1R)-1-(2-fluoro-4,5-dimethoxyphenyl)ethyl]amino]-2-methyl-1-oxopropan-2-yl]carbamate (PubChem CID 99808014) has the molecular formula C16H23FN2O5 and a molecular weight of 342.37 g/mol. Its IUPAC name is methyl N-[1-[[(1R)-1-(2-fluoro-4,5-dimethoxyphenyl)ethyl]amino]-2-methyl-1-oxopropan-2-yl]carbamate.

Molecular Properties

Compound Namemethyl N-[1-[[(1R)-1-(2-fluoro-4,5-dimethoxyphenyl)ethyl]amino]-2-methyl-1-oxopropan-2-yl]carbamate
PubChem CID99808014
Molecular FormulaC16H23FN2O5
Molecular Weight342.37 g/mol
Exact Mass342.16
IUPAC Namemethyl N-[1-[[(1R)-1-(2-fluoro-4,5-dimethoxyphenyl)ethyl]amino]-2-methyl-1-oxopropan-2-yl]carbamate
SMILESCOC(=O)NC(C)(C)C(=O)N[C@H](C)c1cc(OC)c(OC)cc1F
InChIInChI=1S/C16H23FN2O5/c1-9(18-14(20)16(2,3)19-15(21)24-6)10-7-12(22-4)13(23-5)8-11(10)17/h7-9H,1-6H3,(H,18,20)(H,19,21)/t9-/m1/s1
InChIKeyDYMVLJNKCBVCCE-SECBINFHSA-N
XLogP2.15
TPSA85.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.37
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze methyl N-[1-[[(1R)-1-(2-fluoro-4,5-dimethoxyphenyl)ethyl]amino]-2-methyl-1-oxopropan-2-yl]carbamate with MolForge

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Related Compounds

methyl N-[1-[1-(2-fluoro-4,5-dimethoxyphenyl)ethylamino]-2-methyl-1-oxopropan-2-yl]carbamate
CID 102557200
2,2,3,3-tetrafluoro-N-[1-(2-fluoro-4,5-dimethoxyphenyl)ethyl]propanamide
CID 122146702
4-amino-N-[1-(2-fluoro-4,5-dimethoxyphenyl)ethyl]butanamide
CID 119324659
(Z)-N-[(1R)-1-(2-fluoro-4,5-dimethoxyphenyl)ethyl]-2-methylpent-2-enamide
CID 95967414
2-amino-N-[1-(2-fluoro-4,5-dimethoxyphenyl)ethyl]pentanamide
CID 119324653
1-amino-N-[1-(2-fluoro-4,5-dimethoxyphenyl)ethyl]cyclopentane-1-carboxamide
CID 119324647
3-[1-(2-fluoro-4,5-dimethoxyphenyl)ethylcarbamoyl-methylamino]propanoic acid
CID 122002190
5-[[(1S)-1-(2-fluoro-4,5-dimethoxyphenyl)ethyl]carbamoyl]furan-2-carboxylic acid
CID 129466504
1-amino-N-[1-(2-fluoro-4,5-dimethoxyphenyl)ethyl]cyclohexane-1-carboxamide
CID 119324657
N-[1-(2-fluoro-4,5-dimethoxyphenyl)ethyl]pyrrolidine-3-carboxamide;hydrochloride
CID 119785388
N-[1-(2-fluoro-4,5-dimethoxyphenyl)ethyl]-5-methylpyrazolidine-3-carboxamide
CID 134068445
3-amino-N-[1-(2-fluoro-4,5-dimethoxyphenyl)ethyl]cyclopentane-1-carboxamide
CID 119785349

Frequently Asked Questions

What is the IUPAC name of methyl N-[1-[[(1R)-1-(2-fluoro-4,5-dimethoxyphenyl)ethyl]amino]-2-methyl-1-oxopropan-2-yl]carbamate?
The IUPAC name of methyl N-[1-[[(1R)-1-(2-fluoro-4,5-dimethoxyphenyl)ethyl]amino]-2-methyl-1-oxopropan-2-yl]carbamate (CID 99808014) is methyl N-[1-[[(1R)-1-(2-fluoro-4,5-dimethoxyphenyl)ethyl]amino]-2-methyl-1-oxopropan-2-yl]carbamate.
What is the SMILES notation for methyl N-[1-[[(1R)-1-(2-fluoro-4,5-dimethoxyphenyl)ethyl]amino]-2-methyl-1-oxopropan-2-yl]carbamate?
The canonical SMILES for methyl N-[1-[[(1R)-1-(2-fluoro-4,5-dimethoxyphenyl)ethyl]amino]-2-methyl-1-oxopropan-2-yl]carbamate is COC(=O)NC(C)(C)C(=O)N[C@H](C)c1cc(OC)c(OC)cc1F.
What is the InChIKey of methyl N-[1-[[(1R)-1-(2-fluoro-4,5-dimethoxyphenyl)ethyl]amino]-2-methyl-1-oxopropan-2-yl]carbamate?
The InChIKey is DYMVLJNKCBVCCE-SECBINFHSA-N. The full InChI is InChI=1S/C16H23FN2O5/c1-9(18-14(20)16(2,3)19-15(21)24-6)10-7-12(22-4)13(23-5)8-11(10)17/h7-9H,1-6H3,(H,18,20)(H,19,21)/t9-/m1/s1.
What are the key properties of methyl N-[1-[[(1R)-1-(2-fluoro-4,5-dimethoxyphenyl)ethyl]amino]-2-methyl-1-oxopropan-2-yl]carbamate?
methyl N-[1-[[(1R)-1-(2-fluoro-4,5-dimethoxyphenyl)ethyl]amino]-2-methyl-1-oxopropan-2-yl]carbamate has a molecular weight of 342.37 g/mol, XLogP of 2.15, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[1-[[(1R)-1-(2-fluoro-4,5-dimethoxyphenyl)ethyl]amino]-2-methyl-1-oxopropan-2-yl]carbamate is sourced from PubChem (CID 99808014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).