tert-butyl N-[2-[[(2R)-2-methoxypropanoyl]amino]phenyl]carbamate

C15H22N2O4 — CID 95247758

IUPACtert-butyl N-[2-[[(2R)-2-methoxypropanoyl]amino]phenyl]carbamate
SMILESCO[C@H](C)C(=O)Nc1ccccc1NC(=O)OC(C)(C)C
InChIInChI=1S/C15H22N2O4/c1-10(20-5)13(18)16-11-8-6-7-9-12(11)17-14(19)21-15(2,3)4/h6-10H,1-5H3,(H,16,18)(H,17,19)/t10-/m1/s1
InChIKeyMIGIKQBNIVCROI-SNVBAGLBSA-N
MW294.35 g/mol
LogP3.01
Rot. Bonds4

About tert-butyl N-[2-[[(2R)-2-methoxypropanoyl]amino]phenyl]carbamate

tert-butyl N-[2-[[(2R)-2-methoxypropanoyl]amino]phenyl]carbamate (PubChem CID 95247758) has the molecular formula C15H22N2O4 and a molecular weight of 294.35 g/mol. Its IUPAC name is tert-butyl N-[2-[[(2R)-2-methoxypropanoyl]amino]phenyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[[(2R)-2-methoxypropanoyl]amino]phenyl]carbamate
PubChem CID95247758
Molecular FormulaC15H22N2O4
Molecular Weight294.35 g/mol
Exact Mass294.16
IUPAC Nametert-butyl N-[2-[[(2R)-2-methoxypropanoyl]amino]phenyl]carbamate
SMILESCO[C@H](C)C(=O)Nc1ccccc1NC(=O)OC(C)(C)C
InChIInChI=1S/C15H22N2O4/c1-10(20-5)13(18)16-11-8-6-7-9-12(11)17-14(19)21-15(2,3)4/h6-10H,1-5H3,(H,16,18)(H,17,19)/t10-/m1/s1
InChIKeyMIGIKQBNIVCROI-SNVBAGLBSA-N
XLogP3.01
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze tert-butyl N-[2-[[(2R)-2-methoxypropanoyl]amino]phenyl]carbamate 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

tert-butyl N-[2-(2-methylpropylamino)phenyl]carbamate
CID 102449138
tert-butyl N-(2-hydroxyphenyl)carbamate
CID 4935485
2-methoxy-N-(2-propan-2-ylphenyl)propanamide
CID 86811936
tert-butyl N-[2-(1-aminopropan-2-yl)phenyl]carbamate
CID 84707260
tert-butyl N-[2-[(propan-2-ylamino)methyl]phenyl]carbamate
CID 59237466
2-methoxy-N-[2-(trifluoromethyl)phenyl]propanamide
CID 113225450
tert-butyl N-[2-(prop-1-enylamino)phenyl]carbamate
CID 150343828
[(2S)-1-(2-methoxyanilino)-1-oxopropan-2-yl] 4-[(2-methylpropan-2-yl)oxycarbonylamino]benzoate
CID 8647080
methyl 2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]anilino]butanoate
CID 107240144
tert-butyl N-[2-[bromo(hydroxy)methyl]phenyl]carbamate
CID 172603488
4-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]carbamoyl]benzoic acid
CID 68734535
[(2S)-1-oxo-1-(2-propan-2-ylanilino)propan-2-yl] 4-[(2-methylpropan-2-yl)oxycarbonylamino]benzoate
CID 9383794

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[[(2R)-2-methoxypropanoyl]amino]phenyl]carbamate?
The IUPAC name of tert-butyl N-[2-[[(2R)-2-methoxypropanoyl]amino]phenyl]carbamate (CID 95247758) is tert-butyl N-[2-[[(2R)-2-methoxypropanoyl]amino]phenyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-[[(2R)-2-methoxypropanoyl]amino]phenyl]carbamate?
The canonical SMILES for tert-butyl N-[2-[[(2R)-2-methoxypropanoyl]amino]phenyl]carbamate is CO[C@H](C)C(=O)Nc1ccccc1NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[2-[[(2R)-2-methoxypropanoyl]amino]phenyl]carbamate?
The InChIKey is MIGIKQBNIVCROI-SNVBAGLBSA-N. The full InChI is InChI=1S/C15H22N2O4/c1-10(20-5)13(18)16-11-8-6-7-9-12(11)17-14(19)21-15(2,3)4/h6-10H,1-5H3,(H,16,18)(H,17,19)/t10-/m1/s1.
What are the key properties of tert-butyl N-[2-[[(2R)-2-methoxypropanoyl]amino]phenyl]carbamate?
tert-butyl N-[2-[[(2R)-2-methoxypropanoyl]amino]phenyl]carbamate has a molecular weight of 294.35 g/mol, XLogP of 3.01, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-[[(2R)-2-methoxypropanoyl]amino]phenyl]carbamate is sourced from PubChem (CID 95247758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).