tert-butyl N-[(2R)-1-[[(2S)-1-(2-methoxyphenyl)propan-2-yl]amino]-1-oxopropan-2-yl]carbamate

C18H28N2O4 — CID 94811556

IUPACtert-butyl N-[(2R)-1-[[(2S)-1-(2-methoxyphenyl)propan-2-yl]amino]-1-oxopropan-2-yl]carbamate
SMILESCOc1ccccc1C[C@H](C)NC(=O)[C@@H](C)NC(=O)OC(C)(C)C
InChIInChI=1S/C18H28N2O4/c1-12(11-14-9-7-8-10-15(14)23-6)19-16(21)13(2)20-17(22)24-18(3,4)5/h7-10,12-13H,11H2,1-6H3,(H,19,21)(H,20,22)/t12-,13+/m0/s1
InChIKeyXMLRQSCBUYZGDV-QWHCGFSZSA-N
MW336.43 g/mol
LogP2.66
Rot. Bonds6

About tert-butyl N-[(2R)-1-[[(2S)-1-(2-methoxyphenyl)propan-2-yl]amino]-1-oxopropan-2-yl]carbamate

tert-butyl N-[(2R)-1-[[(2S)-1-(2-methoxyphenyl)propan-2-yl]amino]-1-oxopropan-2-yl]carbamate (PubChem CID 94811556) has the molecular formula C18H28N2O4 and a molecular weight of 336.43 g/mol. Its IUPAC name is tert-butyl N-[(2R)-1-[[(2S)-1-(2-methoxyphenyl)propan-2-yl]amino]-1-oxopropan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(2R)-1-[[(2S)-1-(2-methoxyphenyl)propan-2-yl]amino]-1-oxopropan-2-yl]carbamate
PubChem CID94811556
Molecular FormulaC18H28N2O4
Molecular Weight336.43 g/mol
Exact Mass336.20
IUPAC Nametert-butyl N-[(2R)-1-[[(2S)-1-(2-methoxyphenyl)propan-2-yl]amino]-1-oxopropan-2-yl]carbamate
SMILESCOc1ccccc1C[C@H](C)NC(=O)[C@@H](C)NC(=O)OC(C)(C)C
InChIInChI=1S/C18H28N2O4/c1-12(11-14-9-7-8-10-15(14)23-6)19-16(21)13(2)20-17(22)24-18(3,4)5/h7-10,12-13H,11H2,1-6H3,(H,19,21)(H,20,22)/t12-,13+/m0/s1
InChIKeyXMLRQSCBUYZGDV-QWHCGFSZSA-N
XLogP2.66
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.43
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze tert-butyl N-[(2R)-1-[[(2S)-1-(2-methoxyphenyl)propan-2-yl]amino]-1-oxopropan-2-yl]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-[1-(2-methoxyphenyl)-3-oxopropan-2-yl]carbamate
CID 84730394
tert-butyl N-[3-[1-(2-methoxyphenyl)propan-2-ylamino]propyl]carbamate
CID 103781077
tert-butyl N-[(2R)-1-(2-methoxyphenyl)-1-oxopropan-2-yl]carbamate
CID 90091076
1-(2-methoxyphenyl)propan-2-ylurea
CID 21433825
tert-butyl N-[1-(2-chlorophenyl)propan-2-yl]carbamate
CID 63789387
phenyl N-[1-(2-methoxyphenyl)propan-2-yl]carbamate
CID 61068601
N-[1-(2-methoxyphenyl)propan-2-yl]-3-oxobutanamide
CID 54867173
3-amino-4-[1-(2-methoxyphenyl)propan-2-ylamino]-4-oxobutanoic acid
CID 64896685
tert-butyl N-[1-(2-methoxyphenyl)ethyl]carbamate
CID 53432543
2-amino-3,3,3-trifluoro-N-[1-(2-methoxyphenyl)propan-2-yl]-2-methylpropanamide
CID 79792524
methyl (2S)-2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoylamino]-3-phenylpropanoate
CID 15601609
tert-butyl N-[(2-methoxyphenyl)methyl]carbamate;hydrochloride
CID 174676513

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(2R)-1-[[(2S)-1-(2-methoxyphenyl)propan-2-yl]amino]-1-oxopropan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[(2R)-1-[[(2S)-1-(2-methoxyphenyl)propan-2-yl]amino]-1-oxopropan-2-yl]carbamate (CID 94811556) is tert-butyl N-[(2R)-1-[[(2S)-1-(2-methoxyphenyl)propan-2-yl]amino]-1-oxopropan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(2R)-1-[[(2S)-1-(2-methoxyphenyl)propan-2-yl]amino]-1-oxopropan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[(2R)-1-[[(2S)-1-(2-methoxyphenyl)propan-2-yl]amino]-1-oxopropan-2-yl]carbamate is COc1ccccc1C[C@H](C)NC(=O)[C@@H](C)NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[(2R)-1-[[(2S)-1-(2-methoxyphenyl)propan-2-yl]amino]-1-oxopropan-2-yl]carbamate?
The InChIKey is XMLRQSCBUYZGDV-QWHCGFSZSA-N. The full InChI is InChI=1S/C18H28N2O4/c1-12(11-14-9-7-8-10-15(14)23-6)19-16(21)13(2)20-17(22)24-18(3,4)5/h7-10,12-13H,11H2,1-6H3,(H,19,21)(H,20,22)/t12-,13+/m0/s1.
What are the key properties of tert-butyl N-[(2R)-1-[[(2S)-1-(2-methoxyphenyl)propan-2-yl]amino]-1-oxopropan-2-yl]carbamate?
tert-butyl N-[(2R)-1-[[(2S)-1-(2-methoxyphenyl)propan-2-yl]amino]-1-oxopropan-2-yl]carbamate has a molecular weight of 336.43 g/mol, XLogP of 2.66, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(2R)-1-[[(2S)-1-(2-methoxyphenyl)propan-2-yl]amino]-1-oxopropan-2-yl]carbamate is sourced from PubChem (CID 94811556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).