propan-2-yl N-(3-ethoxypropyl)carbamate

C9H19NO3 — CID 116653800

IUPACpropan-2-yl N-(3-ethoxypropyl)carbamate
SMILESCCOCCCNC(=O)OC(C)C
InChIInChI=1S/C9H19NO3/c1-4-12-7-5-6-10-9(11)13-8(2)3/h8H,4-7H2,1-3H3,(H,10,11)
InChIKeyCHWYKLQBRHQCFX-UHFFFAOYSA-N
MW189.25 g/mol
LogP1.55
Rot. Bonds6

About propan-2-yl N-(3-ethoxypropyl)carbamate

propan-2-yl N-(3-ethoxypropyl)carbamate (PubChem CID 116653800) has the molecular formula C9H19NO3 and a molecular weight of 189.25 g/mol. Its IUPAC name is propan-2-yl N-(3-ethoxypropyl)carbamate.

Molecular Properties

Compound Namepropan-2-yl N-(3-ethoxypropyl)carbamate
PubChem CID116653800
Molecular FormulaC9H19NO3
Molecular Weight189.25 g/mol
Exact Mass189.14
IUPAC Namepropan-2-yl N-(3-ethoxypropyl)carbamate
SMILESCCOCCCNC(=O)OC(C)C
InChIInChI=1S/C9H19NO3/c1-4-12-7-5-6-10-9(11)13-8(2)3/h8H,4-7H2,1-3H3,(H,10,11)
InChIKeyCHWYKLQBRHQCFX-UHFFFAOYSA-N
XLogP1.55
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.25
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(3-ethoxypropyl)-2-methylbutanamide
CID 88934597
N-(3-ethoxypropyl)-2-methoxypropanamide
CID 115588519
tert-butyl N-(3-ethoxypropyl)carbamate
CID 63787963
propan-2-yl N-(3-triethoxysilylpropyl)carbamate
CID 87069299
propan-2-yl N-(5-methylheptyl)carbamate
CID 129015381
1-(3-ethoxypropyl)-3-ethylurea
CID 108890430
N-[3-(2-ethoxyethoxy)propyl]acetamide
CID 129212456
propan-2-yl N-(3-methylsulfonylpropyl)carbamate
CID 116655205
propan-2-yl N-[2-[2-[2-[2-(hydroxymethoxy)ethoxy]ethoxy]ethoxy]ethyl]carbamate
CID 162683918
4-amino-N-(3-ethoxypropyl)pentanamide;hydrochloride
CID 120558779
6-(propan-2-yloxycarbonylamino)hexan-2-yl N-ethylcarbamate
CID 155481140
propan-2-yl N-(2-chloroethyl)carbamate
CID 15649892

Frequently Asked Questions

What is the IUPAC name of propan-2-yl N-(3-ethoxypropyl)carbamate?
The IUPAC name of propan-2-yl N-(3-ethoxypropyl)carbamate (CID 116653800) is propan-2-yl N-(3-ethoxypropyl)carbamate.
What is the SMILES notation for propan-2-yl N-(3-ethoxypropyl)carbamate?
The canonical SMILES for propan-2-yl N-(3-ethoxypropyl)carbamate is CCOCCCNC(=O)OC(C)C.
What is the InChIKey of propan-2-yl N-(3-ethoxypropyl)carbamate?
The InChIKey is CHWYKLQBRHQCFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO3/c1-4-12-7-5-6-10-9(11)13-8(2)3/h8H,4-7H2,1-3H3,(H,10,11).
What are the key properties of propan-2-yl N-(3-ethoxypropyl)carbamate?
propan-2-yl N-(3-ethoxypropyl)carbamate has a molecular weight of 189.25 g/mol, XLogP of 1.55, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl N-(3-ethoxypropyl)carbamate is sourced from PubChem (CID 116653800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).