3-(dimethylamino)butyl N-(3-phenylpropyl)carbamate

C16H26N2O2 — CID 44570057

IUPAC3-(dimethylamino)butyl N-(3-phenylpropyl)carbamate
SMILESCC(CCOC(=O)NCCCc1ccccc1)N(C)C
InChIInChI=1S/C16H26N2O2/c1-14(18(2)3)11-13-20-16(19)17-12-7-10-15-8-5-4-6-9-15/h4-6,8-9,14H,7,10-13H2,1-3H3,(H,17,19)
InChIKeyCLNHOZKBDJOIQN-UHFFFAOYSA-N
MW278.40 g/mol
LogP2.69
Rot. Bonds8

About 3-(dimethylamino)butyl N-(3-phenylpropyl)carbamate

3-(dimethylamino)butyl N-(3-phenylpropyl)carbamate (PubChem CID 44570057) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is 3-(dimethylamino)butyl N-(3-phenylpropyl)carbamate.

Molecular Properties

Compound Name3-(dimethylamino)butyl N-(3-phenylpropyl)carbamate
PubChem CID44570057
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC Name3-(dimethylamino)butyl N-(3-phenylpropyl)carbamate
SMILESCC(CCOC(=O)NCCCc1ccccc1)N(C)C
InChIInChI=1S/C16H26N2O2/c1-14(18(2)3)11-13-20-16(19)17-12-7-10-15-8-5-4-6-9-15/h4-6,8-9,14H,7,10-13H2,1-3H3,(H,17,19)
InChIKeyCLNHOZKBDJOIQN-UHFFFAOYSA-N
XLogP2.69
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 52.69
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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Frequently Asked Questions

What is the IUPAC name of 3-(dimethylamino)butyl N-(3-phenylpropyl)carbamate?
The IUPAC name of 3-(dimethylamino)butyl N-(3-phenylpropyl)carbamate (CID 44570057) is 3-(dimethylamino)butyl N-(3-phenylpropyl)carbamate.
What is the SMILES notation for 3-(dimethylamino)butyl N-(3-phenylpropyl)carbamate?
The canonical SMILES for 3-(dimethylamino)butyl N-(3-phenylpropyl)carbamate is CC(CCOC(=O)NCCCc1ccccc1)N(C)C.
What is the InChIKey of 3-(dimethylamino)butyl N-(3-phenylpropyl)carbamate?
The InChIKey is CLNHOZKBDJOIQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-14(18(2)3)11-13-20-16(19)17-12-7-10-15-8-5-4-6-9-15/h4-6,8-9,14H,7,10-13H2,1-3H3,(H,17,19).
What are the key properties of 3-(dimethylamino)butyl N-(3-phenylpropyl)carbamate?
3-(dimethylamino)butyl N-(3-phenylpropyl)carbamate has a molecular weight of 278.40 g/mol, XLogP of 2.69, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylamino)butyl N-(3-phenylpropyl)carbamate is sourced from PubChem (CID 44570057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).