3-(phenoxycarbonylamino)propyl N-(3-hydroxypropyl)carbamate

C14H20N2O5 — CID 101097909

IUPAC3-(phenoxycarbonylamino)propyl N-(3-hydroxypropyl)carbamate
SMILESO=C(NCCCO)OCCCNC(=O)Oc1ccccc1
InChIInChI=1S/C14H20N2O5/c17-10-4-8-15-13(18)20-11-5-9-16-14(19)21-12-6-2-1-3-7-12/h1-3,6-7,17H,4-5,8-11H2,(H,15,18)(H,16,19)
InChIKeyMXZORCBCTRTNKD-UHFFFAOYSA-N
MW296.32 g/mol
LogP1.27
Rot. Bonds8

About 3-(phenoxycarbonylamino)propyl N-(3-hydroxypropyl)carbamate

3-(phenoxycarbonylamino)propyl N-(3-hydroxypropyl)carbamate (PubChem CID 101097909) has the molecular formula C14H20N2O5 and a molecular weight of 296.32 g/mol. Its IUPAC name is 3-(phenoxycarbonylamino)propyl N-(3-hydroxypropyl)carbamate.

Molecular Properties

Compound Name3-(phenoxycarbonylamino)propyl N-(3-hydroxypropyl)carbamate
PubChem CID101097909
Molecular FormulaC14H20N2O5
Molecular Weight296.32 g/mol
Exact Mass296.14
IUPAC Name3-(phenoxycarbonylamino)propyl N-(3-hydroxypropyl)carbamate
SMILESO=C(NCCCO)OCCCNC(=O)Oc1ccccc1
InChIInChI=1S/C14H20N2O5/c17-10-4-8-15-13(18)20-11-5-9-16-14(19)21-12-6-2-1-3-7-12/h1-3,6-7,17H,4-5,8-11H2,(H,15,18)(H,16,19)
InChIKeyMXZORCBCTRTNKD-UHFFFAOYSA-N
XLogP1.27
TPSA96.89 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.32
LogP ≤ 51.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

phenyl N-(2-hydroxyethyl)carbamate
CID 10932043
phenyl N-(3-methoxypropyl)carbamate
CID 60636020
phenyl N-(3-bromopropyl)carbamate
CID 142499000
phenyl N-(4-methoxybutyl)carbamate
CID 61073944
phenyl N-(3-cyanopropyl)carbamate
CID 55209795
3-phenylpropyl N-(2-phenoxyethyl)carbamate
CID 6733581
phenyl N-(3-pyrrolidin-1-ylpropyl)carbamate
CID 60668667
phenyl N-hex-5-ynylcarbamate
CID 103758023
4-hydroxybutyl N-[4-(4-hydroxybutoxycarbonylamino)butyl]carbamate
CID 175946939
ethyl N-[2-(3-phenoxypropylcarbamoylamino)ethyl]carbamate
CID 108883312
phenyl N-(2-phenylethyl)carbamate
CID 12632743
ethane;methyl N-(3-hydroxypropyl)carbamate;toluene
CID 143296945

Frequently Asked Questions

What is the IUPAC name of 3-(phenoxycarbonylamino)propyl N-(3-hydroxypropyl)carbamate?
The IUPAC name of 3-(phenoxycarbonylamino)propyl N-(3-hydroxypropyl)carbamate (CID 101097909) is 3-(phenoxycarbonylamino)propyl N-(3-hydroxypropyl)carbamate.
What is the SMILES notation for 3-(phenoxycarbonylamino)propyl N-(3-hydroxypropyl)carbamate?
The canonical SMILES for 3-(phenoxycarbonylamino)propyl N-(3-hydroxypropyl)carbamate is O=C(NCCCO)OCCCNC(=O)Oc1ccccc1.
What is the InChIKey of 3-(phenoxycarbonylamino)propyl N-(3-hydroxypropyl)carbamate?
The InChIKey is MXZORCBCTRTNKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O5/c17-10-4-8-15-13(18)20-11-5-9-16-14(19)21-12-6-2-1-3-7-12/h1-3,6-7,17H,4-5,8-11H2,(H,15,18)(H,16,19).
What are the key properties of 3-(phenoxycarbonylamino)propyl N-(3-hydroxypropyl)carbamate?
3-(phenoxycarbonylamino)propyl N-(3-hydroxypropyl)carbamate has a molecular weight of 296.32 g/mol, XLogP of 1.27, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(phenoxycarbonylamino)propyl N-(3-hydroxypropyl)carbamate is sourced from PubChem (CID 101097909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).