tert-butyl N-[(3R)-3-hydroxy-4-(3-methoxyphenyl)butyl]carbamate

C16H25NO4 — CID 129406598

IUPACtert-butyl N-[(3R)-3-hydroxy-4-(3-methoxyphenyl)butyl]carbamate
SMILESCOc1cccc(C[C@@H](O)CCNC(=O)OC(C)(C)C)c1
InChIInChI=1S/C16H25NO4/c1-16(2,3)21-15(19)17-9-8-13(18)10-12-6-5-7-14(11-12)20-4/h5-7,11,13,18H,8-10H2,1-4H3,(H,17,19)/t13-/m0/s1
InChIKeyBGAAIFLYJBILFC-ZDUSSCGKSA-N
MW295.38 g/mol
LogP2.51
Rot. Bonds6

About tert-butyl N-[(3R)-3-hydroxy-4-(3-methoxyphenyl)butyl]carbamate

tert-butyl N-[(3R)-3-hydroxy-4-(3-methoxyphenyl)butyl]carbamate (PubChem CID 129406598) has the molecular formula C16H25NO4 and a molecular weight of 295.38 g/mol. Its IUPAC name is tert-butyl N-[(3R)-3-hydroxy-4-(3-methoxyphenyl)butyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(3R)-3-hydroxy-4-(3-methoxyphenyl)butyl]carbamate
PubChem CID129406598
Molecular FormulaC16H25NO4
Molecular Weight295.38 g/mol
Exact Mass295.18
IUPAC Nametert-butyl N-[(3R)-3-hydroxy-4-(3-methoxyphenyl)butyl]carbamate
SMILESCOc1cccc(C[C@@H](O)CCNC(=O)OC(C)(C)C)c1
InChIInChI=1S/C16H25NO4/c1-16(2,3)21-15(19)17-9-8-13(18)10-12-6-5-7-14(11-12)20-4/h5-7,11,13,18H,8-10H2,1-4H3,(H,17,19)/t13-/m0/s1
InChIKeyBGAAIFLYJBILFC-ZDUSSCGKSA-N
XLogP2.51
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.38
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-[(3-methoxyphenyl)methyl]-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
CID 25417738
1-(3-methoxyphenyl)propan-2-yl 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate
CID 145115605
tert-butyl N-[1-amino-3-(3-methoxyphenyl)propan-2-yl]carbamate
CID 84730445
tert-butyl N-[3-[2-(3-methoxyphenyl)ethylamino]-3-oxopropyl]carbamate
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ethyl 3-(3-methoxyphenyl)-2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]amino]propanoate
CID 66582630
1-(3-methoxyphenyl)pentan-2-ol
CID 61261615
tert-butyl N-[(1R)-1-(butylamino)-2-(3-methoxyphenyl)ethyl]carbamate
CID 155138107
tert-butyl N-[3-cyano-3-(3-methoxyanilino)propyl]carbamate
CID 102730605
tert-butyl N-[3-[3-(cyclohexylmethoxy)phenyl]-2-hydroxypropyl]carbamate
CID 58027630
1-(3-methoxyphenyl)-4-phenylbutan-2-ol
CID 55136240
tert-butyl N-[3-hydroxy-5-[(2-methylpropan-2-yl)oxycarbonylamino]pentyl]carbamate
CID 59367237
tert-butyl N-[[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]methyl]carbamate
CID 155730830

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(3R)-3-hydroxy-4-(3-methoxyphenyl)butyl]carbamate?
The IUPAC name of tert-butyl N-[(3R)-3-hydroxy-4-(3-methoxyphenyl)butyl]carbamate (CID 129406598) is tert-butyl N-[(3R)-3-hydroxy-4-(3-methoxyphenyl)butyl]carbamate.
What is the SMILES notation for tert-butyl N-[(3R)-3-hydroxy-4-(3-methoxyphenyl)butyl]carbamate?
The canonical SMILES for tert-butyl N-[(3R)-3-hydroxy-4-(3-methoxyphenyl)butyl]carbamate is COc1cccc(C[C@@H](O)CCNC(=O)OC(C)(C)C)c1.
What is the InChIKey of tert-butyl N-[(3R)-3-hydroxy-4-(3-methoxyphenyl)butyl]carbamate?
The InChIKey is BGAAIFLYJBILFC-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H25NO4/c1-16(2,3)21-15(19)17-9-8-13(18)10-12-6-5-7-14(11-12)20-4/h5-7,11,13,18H,8-10H2,1-4H3,(H,17,19)/t13-/m0/s1.
What are the key properties of tert-butyl N-[(3R)-3-hydroxy-4-(3-methoxyphenyl)butyl]carbamate?
tert-butyl N-[(3R)-3-hydroxy-4-(3-methoxyphenyl)butyl]carbamate has a molecular weight of 295.38 g/mol, XLogP of 2.51, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(3R)-3-hydroxy-4-(3-methoxyphenyl)butyl]carbamate is sourced from PubChem (CID 129406598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).