3-[4-[3-(oxan-4-ylamino)-3-oxopropyl]phenoxy]propyl carbamate

C18H26N2O5 — CID 173014572

IUPAC3-[4-[3-(oxan-4-ylamino)-3-oxopropyl]phenoxy]propyl carbamate
SMILESNC(=O)OCCCOc1ccc(CCC(=O)NC2CCOCC2)cc1
InChIInChI=1S/C18H26N2O5/c19-18(22)25-11-1-10-24-16-5-2-14(3-6-16)4-7-17(21)20-15-8-12-23-13-9-15/h2-3,5-6,15H,1,4,7-13H2,(H2,19,22)(H,20,21)
InChIKeyJJBXVIHXJSWMLU-UHFFFAOYSA-N
MW350.42 g/mol
LogP1.78
Rot. Bonds9

About 3-[4-[3-(oxan-4-ylamino)-3-oxopropyl]phenoxy]propyl carbamate

3-[4-[3-(oxan-4-ylamino)-3-oxopropyl]phenoxy]propyl carbamate (PubChem CID 173014572) has the molecular formula C18H26N2O5 and a molecular weight of 350.42 g/mol. Its IUPAC name is 3-[4-[3-(oxan-4-ylamino)-3-oxopropyl]phenoxy]propyl carbamate.

Molecular Properties

Compound Name3-[4-[3-(oxan-4-ylamino)-3-oxopropyl]phenoxy]propyl carbamate
PubChem CID173014572
Molecular FormulaC18H26N2O5
Molecular Weight350.42 g/mol
Exact Mass350.18
IUPAC Name3-[4-[3-(oxan-4-ylamino)-3-oxopropyl]phenoxy]propyl carbamate
SMILESNC(=O)OCCCOc1ccc(CCC(=O)NC2CCOCC2)cc1
InChIInChI=1S/C18H26N2O5/c19-18(22)25-11-1-10-24-16-5-2-14(3-6-16)4-7-17(21)20-15-8-12-23-13-9-15/h2-3,5-6,15H,1,4,7-13H2,(H2,19,22)(H,20,21)
InChIKeyJJBXVIHXJSWMLU-UHFFFAOYSA-N
XLogP1.78
TPSA99.88 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-(4-bromophenyl)-N-(oxan-4-yl)propanamide
CID 175666639
4-[3-[[(4R)-oxepan-4-yl]amino]-3-oxopropyl]benzoic acid
CID 129402468
N-cyclopropyl-3-(4-morpholin-4-ylphenyl)propanamide
CID 110647271
N-(oxan-4-yl)-2-[4-(2-oxopropyl)phenoxy]acetamide
CID 115495370
2-(4-hydroxyphenoxy)-N-(oxan-4-yl)acetamide
CID 55182267
2-[4-[(Z)-N'-hydroxycarbamimidoyl]phenoxy]-N-(oxan-4-yl)acetamide
CID 43610524
N-(8-azabicyclo[3.2.1]octan-3-yl)-3-(4-propoxyphenyl)propanamide;hydrochloride
CID 119457887
N-(oxan-4-yl)-2-phenoxyacetamide
CID 61062946
N-(4-chlorocyclohexyl)-3-(4-methoxyphenyl)propanamide
CID 114297242
3-(4-fluorophenoxy)propyl carbamate
CID 154235028
N-piperidin-3-yl-3-(4-propoxyphenyl)propanamide;hydrochloride
CID 119427303
4-(4-fluorophenoxy)-N-piperidin-4-ylbutanamide
CID 110464778

Frequently Asked Questions

What is the IUPAC name of 3-[4-[3-(oxan-4-ylamino)-3-oxopropyl]phenoxy]propyl carbamate?
The IUPAC name of 3-[4-[3-(oxan-4-ylamino)-3-oxopropyl]phenoxy]propyl carbamate (CID 173014572) is 3-[4-[3-(oxan-4-ylamino)-3-oxopropyl]phenoxy]propyl carbamate.
What is the SMILES notation for 3-[4-[3-(oxan-4-ylamino)-3-oxopropyl]phenoxy]propyl carbamate?
The canonical SMILES for 3-[4-[3-(oxan-4-ylamino)-3-oxopropyl]phenoxy]propyl carbamate is NC(=O)OCCCOc1ccc(CCC(=O)NC2CCOCC2)cc1.
What is the InChIKey of 3-[4-[3-(oxan-4-ylamino)-3-oxopropyl]phenoxy]propyl carbamate?
The InChIKey is JJBXVIHXJSWMLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O5/c19-18(22)25-11-1-10-24-16-5-2-14(3-6-16)4-7-17(21)20-15-8-12-23-13-9-15/h2-3,5-6,15H,1,4,7-13H2,(H2,19,22)(H,20,21).
What are the key properties of 3-[4-[3-(oxan-4-ylamino)-3-oxopropyl]phenoxy]propyl carbamate?
3-[4-[3-(oxan-4-ylamino)-3-oxopropyl]phenoxy]propyl carbamate has a molecular weight of 350.42 g/mol, XLogP of 1.78, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[3-(oxan-4-ylamino)-3-oxopropyl]phenoxy]propyl carbamate is sourced from PubChem (CID 173014572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).