3-[(2-hydroxy-3-phenylpropyl)-methylamino]butyl N,N-dimethylcarbamate

Name: 3-[(2-hydroxy-3-phenylpropyl)-methylamino]butyl N,N-dimethylcarbamate — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₁₇H₂₈N₂O₃ — CID 122189543

Data last refreshed: 2026-04-15 (MolForge compound catalog, from PubChem)

IUPAC3-[(2-hydroxy-3-phenylpropyl)-methylamino]butyl N,N-dimethylcarbamate

SMILESCC(CCOC(=O)N(C)C)N(C)CC(O)Cc1ccccc1

InChIInChI=1S/C17H28N2O3/c1-14(10-11-22-17(21)18(2)3)19(4)13-16(20)12-15-8-6-5-7-9-15/h5-9,14,16,20H,10-13H2,1-4H3

InChIKeyPXCIIAJSUSWLSD-UHFFFAOYSA-N

MW308.42 g/mol

LogP2.00

Rot. Bonds8

About 3-[(2-hydroxy-3-phenylpropyl)-methylamino]butyl N,N-dimethylcarbamate

3-[(2-hydroxy-3-phenylpropyl)-methylamino]butyl N,N-dimethylcarbamate (PubChem CID 122189543) has the molecular formula C₁₇H₂₈N₂O₃ and a molecular weight of 308.42 g/mol. Its IUPAC name is 3-[(2-hydroxy-3-phenylpropyl)-methylamino]butyl N,N-dimethylcarbamate.

Molecular Properties

Compound Name	3-[(2-hydroxy-3-phenylpropyl)-methylamino]butyl N,N-dimethylcarbamate
PubChem CID	122189543
Molecular Formula	C₁₇H₂₈N₂O₃
Molecular Weight	308.42 g/mol
Exact Mass	308.21
IUPAC Name	3-[(2-hydroxy-3-phenylpropyl)-methylamino]butyl N,N-dimethylcarbamate
SMILES	CC(CCOC(=O)N(C)C)N(C)CC(O)Cc1ccccc1
InChI	InChI=1S/C17H28N2O3/c1-14(10-11-22-17(21)18(2)3)19(4)13-16(20)12-15-8-6-5-7-9-15/h5-9,14,16,20H,10-13H2,1-4H3
InChIKey	PXCIIAJSUSWLSD-UHFFFAOYSA-N
XLogP	2.00
TPSA	53.01 Å²
H-Bond Donors	1
H-Bond Acceptors	4
Rotatable Bonds	8
Heavy Atoms	22
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	308.42
LogP ≤ 5	2.00
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 3-[(2-hydroxy-3-phenylpropyl)-methylamino]butyl N,N-dimethylcarbamate?

The IUPAC name of 3-[(2-hydroxy-3-phenylpropyl)-methylamino]butyl N,N-dimethylcarbamate (CID 122189543) is 3-[(2-hydroxy-3-phenylpropyl)-methylamino]butyl N,N-dimethylcarbamate.

What is the SMILES notation for 3-[(2-hydroxy-3-phenylpropyl)-methylamino]butyl N,N-dimethylcarbamate?

The canonical SMILES for 3-[(2-hydroxy-3-phenylpropyl)-methylamino]butyl N,N-dimethylcarbamate is CC(CCOC(=O)N(C)C)N(C)CC(O)Cc1ccccc1.

What is the InChIKey of 3-[(2-hydroxy-3-phenylpropyl)-methylamino]butyl N,N-dimethylcarbamate?

The InChIKey is PXCIIAJSUSWLSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O3/c1-14(10-11-22-17(21)18(2)3)19(4)13-16(20)12-15-8-6-5-7-9-15/h5-9,14,16,20H,10-13H2,1-4H3.

What are the key properties of 3-[(2-hydroxy-3-phenylpropyl)-methylamino]butyl N,N-dimethylcarbamate?

3-[(2-hydroxy-3-phenylpropyl)-methylamino]butyl N,N-dimethylcarbamate has a molecular weight of 308.42 g/mol, XLogP of 2.00, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[(2-hydroxy-3-phenylpropyl)-methylamino]butyl N,N-dimethylcarbamate is sourced from PubChem (CID 122189543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

PubChem CID 122189543 — identifiers, structure, computed properties (public domain)

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