benzyl N-[3-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]propyl]carbamate

C15H24N2O5 — CID 167407523

IUPACbenzyl N-[3-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]propyl]carbamate
SMILESO=C(NCCCNC(CO)(CO)CO)OCc1ccccc1
InChIInChI=1S/C15H24N2O5/c18-10-15(11-19,12-20)17-8-4-7-16-14(21)22-9-13-5-2-1-3-6-13/h1-3,5-6,17-20H,4,7-12H2,(H,16,21)
InChIKeyUYAQLFVWORIKAI-UHFFFAOYSA-N
MW312.37 g/mol
LogP-0.39
Rot. Bonds10

About benzyl N-[3-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]propyl]carbamate

benzyl N-[3-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]propyl]carbamate (PubChem CID 167407523) has the molecular formula C15H24N2O5 and a molecular weight of 312.37 g/mol. Its IUPAC name is benzyl N-[3-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]propyl]carbamate.

Molecular Properties

Compound Namebenzyl N-[3-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]propyl]carbamate
PubChem CID167407523
Molecular FormulaC15H24N2O5
Molecular Weight312.37 g/mol
Exact Mass312.17
IUPAC Namebenzyl N-[3-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]propyl]carbamate
SMILESO=C(NCCCNC(CO)(CO)CO)OCc1ccccc1
InChIInChI=1S/C15H24N2O5/c18-10-15(11-19,12-20)17-8-4-7-16-14(21)22-9-13-5-2-1-3-6-13/h1-3,5-6,17-20H,4,7-12H2,(H,16,21)
InChIKeyUYAQLFVWORIKAI-UHFFFAOYSA-N
XLogP-0.39
TPSA111.05 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 5-0.39
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

benzyl N-[18-(phenylmethoxycarbonylamino)octadecyl]carbamate
CID 67828631
benzyl N-[7-(phenylmethoxycarbonylamino)heptyl]carbamate
CID 562919
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CID 44828785
benzyl N-[2-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]-2-oxoethyl]carbamate
CID 11449782
benzyl N-[5-[(2-methylpropan-2-yl)oxycarbonylamino]pentyl]carbamate
CID 15286885
hydroxy-oxo-[3-(phenylmethoxycarbonylamino)propyl]phosphanium
CID 19090886
benzyl N-[6-(methylamino)hexyl]carbamate
CID 14423361
benzyl N-(8-bromooctyl)carbamate
CID 86200547
benzyl N-[4-(4-aminobutylamino)butyl]carbamate
CID 155065832
benzyl N-(2-benzyl-1,3-dihydroxypropan-2-yl)carbamate
CID 102156454
benzyl N-(phenylmethoxycarbonylaminomethyl)carbamate
CID 13001569
benzyl N-(4-isocyanobutyl)carbamate
CID 66524029

Frequently Asked Questions

What is the IUPAC name of benzyl N-[3-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]propyl]carbamate?
The IUPAC name of benzyl N-[3-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]propyl]carbamate (CID 167407523) is benzyl N-[3-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]propyl]carbamate.
What is the SMILES notation for benzyl N-[3-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]propyl]carbamate?
The canonical SMILES for benzyl N-[3-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]propyl]carbamate is O=C(NCCCNC(CO)(CO)CO)OCc1ccccc1.
What is the InChIKey of benzyl N-[3-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]propyl]carbamate?
The InChIKey is UYAQLFVWORIKAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O5/c18-10-15(11-19,12-20)17-8-4-7-16-14(21)22-9-13-5-2-1-3-6-13/h1-3,5-6,17-20H,4,7-12H2,(H,16,21).
What are the key properties of benzyl N-[3-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]propyl]carbamate?
benzyl N-[3-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]propyl]carbamate has a molecular weight of 312.37 g/mol, XLogP of -0.39, 10 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[3-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]propyl]carbamate is sourced from PubChem (CID 167407523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).