ethane;methyl N-(3-hydroxypropyl)carbamate;toluene

C16H31NO3 — CID 143296945

IUPACethane;methyl N-(3-hydroxypropyl)carbamate;toluene
SMILESCC.CC.COC(=O)NCCCO.Cc1ccccc1
InChIInChI=1S/C7H8.C5H11NO3.2C2H6/c1-7-5-3-2-4-6-7;1-9-5(8)6-3-2-4-7;2*1-2/h2-6H,1H3;7H,2-4H2,1H3,(H,6,8);2*1-2H3
InChIKeyUNMNWICUSAQCDL-UHFFFAOYSA-N
MW285.43 g/mol
LogP3.77
Rot. Bonds3

About ethane;methyl N-(3-hydroxypropyl)carbamate;toluene

ethane;methyl N-(3-hydroxypropyl)carbamate;toluene (PubChem CID 143296945) has the molecular formula C16H31NO3 and a molecular weight of 285.43 g/mol. Its IUPAC name is ethane;methyl N-(3-hydroxypropyl)carbamate;toluene.

Molecular Properties

Compound Nameethane;methyl N-(3-hydroxypropyl)carbamate;toluene
PubChem CID143296945
Molecular FormulaC16H31NO3
Molecular Weight285.43 g/mol
Exact Mass285.23
IUPAC Nameethane;methyl N-(3-hydroxypropyl)carbamate;toluene
SMILESCC.CC.COC(=O)NCCCO.Cc1ccccc1
InChIInChI=1S/C7H8.C5H11NO3.2C2H6/c1-7-5-3-2-4-6-7;1-9-5(8)6-3-2-4-7;2*1-2/h2-6H,1H3;7H,2-4H2,1H3,(H,6,8);2*1-2H3
InChIKeyUNMNWICUSAQCDL-UHFFFAOYSA-N
XLogP3.77
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.43
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

methyl N-[3-(N-ethylanilino)propyl]carbamate
CID 22765561
3-(phenoxycarbonylamino)propyl N-(3-hydroxypropyl)carbamate
CID 101097909
4-(methoxycarbonylamino)butylcarbamic acid
CID 139823188
methyl N-[4-(methoxycarbonylamino)butyl]carbamate
CID 2255932
2-methoxy-2-oxoacetic acid;toluene
CID 159263355
phenyl N-(3-methoxypropyl)carbamate
CID 60636020
(3,4-dimethylphenyl) N-(3-hydroxypropyl)carbamate
CID 116819687
methyl N-[10-(methoxycarbonylamino)decyl]carbamate
CID 54285968
phenyl N-(2-hydroxyethyl)carbamate
CID 10932043
phenyl N-(3-bromopropyl)carbamate
CID 142499000
phenyl N-(4-methoxybutyl)carbamate
CID 61073944
benzene;butan-1-ol;toluene
CID 163426889

Frequently Asked Questions

What is the IUPAC name of ethane;methyl N-(3-hydroxypropyl)carbamate;toluene?
The IUPAC name of ethane;methyl N-(3-hydroxypropyl)carbamate;toluene (CID 143296945) is ethane;methyl N-(3-hydroxypropyl)carbamate;toluene.
What is the SMILES notation for ethane;methyl N-(3-hydroxypropyl)carbamate;toluene?
The canonical SMILES for ethane;methyl N-(3-hydroxypropyl)carbamate;toluene is CC.CC.COC(=O)NCCCO.Cc1ccccc1.
What is the InChIKey of ethane;methyl N-(3-hydroxypropyl)carbamate;toluene?
The InChIKey is UNMNWICUSAQCDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8.C5H11NO3.2C2H6/c1-7-5-3-2-4-6-7;1-9-5(8)6-3-2-4-7;2*1-2/h2-6H,1H3;7H,2-4H2,1H3,(H,6,8);2*1-2H3.
What are the key properties of ethane;methyl N-(3-hydroxypropyl)carbamate;toluene?
ethane;methyl N-(3-hydroxypropyl)carbamate;toluene has a molecular weight of 285.43 g/mol, XLogP of 3.77, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;methyl N-(3-hydroxypropyl)carbamate;toluene is sourced from PubChem (CID 143296945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).