ethyl N-[2-[4-(5-methylheptan-3-yloxy)phenoxy]ethyl]carbamate

C19H31NO4 — CID 22158871

IUPACethyl N-[2-[4-(5-methylheptan-3-yloxy)phenoxy]ethyl]carbamate
SMILESCCOC(=O)NCCOc1ccc(OC(CC)CC(C)CC)cc1
InChIInChI=1S/C19H31NO4/c1-5-15(4)14-16(6-2)24-18-10-8-17(9-11-18)23-13-12-20-19(21)22-7-3/h8-11,15-16H,5-7,12-14H2,1-4H3,(H,20,21)
InChIKeyNHDWAMRXRBAJJQ-UHFFFAOYSA-N
MW337.46 g/mol
LogP4.41
Rot. Bonds11

About ethyl N-[2-[4-(5-methylheptan-3-yloxy)phenoxy]ethyl]carbamate

ethyl N-[2-[4-(5-methylheptan-3-yloxy)phenoxy]ethyl]carbamate (PubChem CID 22158871) has the molecular formula C19H31NO4 and a molecular weight of 337.46 g/mol. Its IUPAC name is ethyl N-[2-[4-(5-methylheptan-3-yloxy)phenoxy]ethyl]carbamate.

Molecular Properties

Compound Nameethyl N-[2-[4-(5-methylheptan-3-yloxy)phenoxy]ethyl]carbamate
PubChem CID22158871
Molecular FormulaC19H31NO4
Molecular Weight337.46 g/mol
Exact Mass337.23
IUPAC Nameethyl N-[2-[4-(5-methylheptan-3-yloxy)phenoxy]ethyl]carbamate
SMILESCCOC(=O)NCCOc1ccc(OC(CC)CC(C)CC)cc1
InChIInChI=1S/C19H31NO4/c1-5-15(4)14-16(6-2)24-18-10-8-17(9-11-18)23-13-12-20-19(21)22-7-3/h8-11,15-16H,5-7,12-14H2,1-4H3,(H,20,21)
InChIKeyNHDWAMRXRBAJJQ-UHFFFAOYSA-N
XLogP4.41
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.46
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze ethyl N-[2-[4-(5-methylheptan-3-yloxy)phenoxy]ethyl]carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl N-[2-[4-(2-methylbenzoyl)phenoxy]ethyl]carbamate
CID 54333004
ethyl N-[2-[4-(4-chlorophenoxy)phenoxy]ethyl]carbamate
CID 19881385
butan-2-yl N-[2-(4-butan-2-yloxyphenoxy)ethyl]carbamate
CID 14552663
ethyl N-[2-(4-butan-2-yloxy-2-fluorophenoxy)ethyl]carbamate
CID 19816524
ethyl N-[2-(2-butan-2-yloxyphenoxy)ethyl]carbamate
CID 22158866
ethyl N-[2-[4-butan-2-yloxy-2-(trifluoromethyl)phenoxy]ethyl]carbamate
CID 19816521
2-(4-butan-2-yloxyphenoxy)ethylcarbamothioic S-acid
CID 88525877
2-methylpropyl N-[2-(4-aminophenoxy)ethyl]carbamate
CID 61031617
ethyl 2-[2-(4-chlorophenoxy)ethylcarbamoyloxy]acetate
CID 91288841
ethyl N-[2-(3-phenoxypropylcarbamoylamino)ethyl]carbamate
CID 108883312
ethyl N-[2-(1,3-benzodioxol-5-yloxy)ethyl]carbamate
CID 113101754
ethyl N-[2-[4-[[(1S,2R)-2-hydroxycyclohexyl]methyl]phenoxy]ethyl]carbamate
CID 10087425

Frequently Asked Questions

What is the IUPAC name of ethyl N-[2-[4-(5-methylheptan-3-yloxy)phenoxy]ethyl]carbamate?
The IUPAC name of ethyl N-[2-[4-(5-methylheptan-3-yloxy)phenoxy]ethyl]carbamate (CID 22158871) is ethyl N-[2-[4-(5-methylheptan-3-yloxy)phenoxy]ethyl]carbamate.
What is the SMILES notation for ethyl N-[2-[4-(5-methylheptan-3-yloxy)phenoxy]ethyl]carbamate?
The canonical SMILES for ethyl N-[2-[4-(5-methylheptan-3-yloxy)phenoxy]ethyl]carbamate is CCOC(=O)NCCOc1ccc(OC(CC)CC(C)CC)cc1.
What is the InChIKey of ethyl N-[2-[4-(5-methylheptan-3-yloxy)phenoxy]ethyl]carbamate?
The InChIKey is NHDWAMRXRBAJJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31NO4/c1-5-15(4)14-16(6-2)24-18-10-8-17(9-11-18)23-13-12-20-19(21)22-7-3/h8-11,15-16H,5-7,12-14H2,1-4H3,(H,20,21).
What are the key properties of ethyl N-[2-[4-(5-methylheptan-3-yloxy)phenoxy]ethyl]carbamate?
ethyl N-[2-[4-(5-methylheptan-3-yloxy)phenoxy]ethyl]carbamate has a molecular weight of 337.46 g/mol, XLogP of 4.41, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[2-[4-(5-methylheptan-3-yloxy)phenoxy]ethyl]carbamate is sourced from PubChem (CID 22158871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).