benzyl N-(2-benzyl-1,3-dihydroxypropan-2-yl)carbamate

C18H21NO4 — CID 102156454

IUPACbenzyl N-(2-benzyl-1,3-dihydroxypropan-2-yl)carbamate
SMILESO=C(NC(CO)(CO)Cc1ccccc1)OCc1ccccc1
InChIInChI=1S/C18H21NO4/c20-13-18(14-21,11-15-7-3-1-4-8-15)19-17(22)23-12-16-9-5-2-6-10-16/h1-10,20-21H,11-14H2,(H,19,22)
InChIKeyUPBYIRLVEHOLNI-UHFFFAOYSA-N
MW315.37 g/mol
LogP1.88
Rot. Bonds7

About benzyl N-(2-benzyl-1,3-dihydroxypropan-2-yl)carbamate

benzyl N-(2-benzyl-1,3-dihydroxypropan-2-yl)carbamate (PubChem CID 102156454) has the molecular formula C18H21NO4 and a molecular weight of 315.37 g/mol. Its IUPAC name is benzyl N-(2-benzyl-1,3-dihydroxypropan-2-yl)carbamate.

Molecular Properties

Compound Namebenzyl N-(2-benzyl-1,3-dihydroxypropan-2-yl)carbamate
PubChem CID102156454
Molecular FormulaC18H21NO4
Molecular Weight315.37 g/mol
Exact Mass315.15
IUPAC Namebenzyl N-(2-benzyl-1,3-dihydroxypropan-2-yl)carbamate
SMILESO=C(NC(CO)(CO)Cc1ccccc1)OCc1ccccc1
InChIInChI=1S/C18H21NO4/c20-13-18(14-21,11-15-7-3-1-4-8-15)19-17(22)23-12-16-9-5-2-6-10-16/h1-10,20-21H,11-14H2,(H,19,22)
InChIKeyUPBYIRLVEHOLNI-UHFFFAOYSA-N
XLogP1.88
TPSA78.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.37
LogP ≤ 51.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

benzyl N-[2-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]-2-oxoethyl]carbamate
CID 11449782
methyl 3-hydroxy-2-(hydroxymethyl)-2-(phenylmethoxycarbonylamino)propanoate
CID 86193669
methyl (2R)-2-methyl-3-phenyl-2-(phenylmethoxycarbonylamino)propanoate
CID 140762631
[(2R)-2-(hydroxymethyl)-2-(phenylmethoxycarbonylamino)octyl] acetate
CID 102156455
benzyl N-[(2R)-1-(tert-butylamino)-2-methyl-1-oxo-3-phenylpropan-2-yl]carbamate
CID 11152854
benzyl N-[3-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]propyl]carbamate
CID 167407523
benzyl N-[(2R)-2-benzyl-1-oxo-1-(propan-2-ylamino)butan-2-yl]carbamate
CID 10361691
benzyl N-[(2R)-1-amino-2-(hydroxymethyl)-1-oxo-3-[4-(trifluoromethoxy)phenyl]propan-2-yl]carbamate
CID 70869026
lithium benzyl N-(2-methylbut-3-yn-2-yl)carbamate
CID 87939839
benzyl N-[(2R,4R)-2,4-dihydroxy-3-methylpentan-3-yl]carbamate
CID 139247228
(2S)-4,4-difluoro-2-methyl-5-phenyl-2-(phenylmethoxycarbonylamino)pentanoic acid
CID 66660816
benzyl N-(phenylmethoxycarbonylaminomethyl)carbamate
CID 13001569

Frequently Asked Questions

What is the IUPAC name of benzyl N-(2-benzyl-1,3-dihydroxypropan-2-yl)carbamate?
The IUPAC name of benzyl N-(2-benzyl-1,3-dihydroxypropan-2-yl)carbamate (CID 102156454) is benzyl N-(2-benzyl-1,3-dihydroxypropan-2-yl)carbamate.
What is the SMILES notation for benzyl N-(2-benzyl-1,3-dihydroxypropan-2-yl)carbamate?
The canonical SMILES for benzyl N-(2-benzyl-1,3-dihydroxypropan-2-yl)carbamate is O=C(NC(CO)(CO)Cc1ccccc1)OCc1ccccc1.
What is the InChIKey of benzyl N-(2-benzyl-1,3-dihydroxypropan-2-yl)carbamate?
The InChIKey is UPBYIRLVEHOLNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO4/c20-13-18(14-21,11-15-7-3-1-4-8-15)19-17(22)23-12-16-9-5-2-6-10-16/h1-10,20-21H,11-14H2,(H,19,22).
What are the key properties of benzyl N-(2-benzyl-1,3-dihydroxypropan-2-yl)carbamate?
benzyl N-(2-benzyl-1,3-dihydroxypropan-2-yl)carbamate has a molecular weight of 315.37 g/mol, XLogP of 1.88, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-(2-benzyl-1,3-dihydroxypropan-2-yl)carbamate is sourced from PubChem (CID 102156454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).