3-[3-[1-(dimethylamino)ethyl]phenyl]propyl carbamate

C14H22N2O2 — CID 91318489

IUPAC3-[3-[1-(dimethylamino)ethyl]phenyl]propyl carbamate
SMILESCC(c1cccc(CCCOC(N)=O)c1)N(C)C
InChIInChI=1S/C14H22N2O2/c1-11(16(2)3)13-8-4-6-12(10-13)7-5-9-18-14(15)17/h4,6,8,10-11H,5,7,9H2,1-3H3,(H2,15,17)
InChIKeyYOYDBGYYBHAADD-UHFFFAOYSA-N
MW250.34 g/mol
LogP2.34
Rot. Bonds6

About 3-[3-[1-(dimethylamino)ethyl]phenyl]propyl carbamate

3-[3-[1-(dimethylamino)ethyl]phenyl]propyl carbamate (PubChem CID 91318489) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is 3-[3-[1-(dimethylamino)ethyl]phenyl]propyl carbamate.

Molecular Properties

Compound Name3-[3-[1-(dimethylamino)ethyl]phenyl]propyl carbamate
PubChem CID91318489
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name3-[3-[1-(dimethylamino)ethyl]phenyl]propyl carbamate
SMILESCC(c1cccc(CCCOC(N)=O)c1)N(C)C
InChIInChI=1S/C14H22N2O2/c1-11(16(2)3)13-8-4-6-12(10-13)7-5-9-18-14(15)17/h4,6,8,10-11H,5,7,9H2,1-3H3,(H2,15,17)
InChIKeyYOYDBGYYBHAADD-UHFFFAOYSA-N
XLogP2.34
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 52.34
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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Related Compounds

2-hydroxy-2-[3-(4-phenylbutyl)phenyl]acetamide
CID 89454615
4-[3-(1-methoxyethyl)phenyl]butanoic acid
CID 117108370
8-phenyloctyl carbamate
CID 67180735
[3-[(1R)-1-(dimethylamino)ethyl]phenyl] acetate
CID 59825274
[3-[1-(dimethylamino)ethyl]phenyl] N,N-diethylcarbamate;hydrochloride
CID 117069146
5-[3-(3-aminopropyl)phenyl]hexanamide
CID 91188909
[1-[3-(aminomethyl)phenyl]-2-methylpropyl] carbamate
CID 174531386
4-[3-[(1R)-1-(dimethylamino)ethyl]phenyl]thiophene-2-carboxamide
CID 97436517
3-[(1R)-1-(dimethylamino)ethyl]phenol
CID 10313270
2-[3-(5-hydroxypent-1-ynyl)phenyl]ethyl carbamate
CID 68944423
ethyl 2-bromo-2-(3-propylphenyl)acetate
CID 142810872
methyl 2-hydroxy-2-[3-(2-methoxyethyl)phenyl]acetate
CID 117108625

Frequently Asked Questions

What is the IUPAC name of 3-[3-[1-(dimethylamino)ethyl]phenyl]propyl carbamate?
The IUPAC name of 3-[3-[1-(dimethylamino)ethyl]phenyl]propyl carbamate (CID 91318489) is 3-[3-[1-(dimethylamino)ethyl]phenyl]propyl carbamate.
What is the SMILES notation for 3-[3-[1-(dimethylamino)ethyl]phenyl]propyl carbamate?
The canonical SMILES for 3-[3-[1-(dimethylamino)ethyl]phenyl]propyl carbamate is CC(c1cccc(CCCOC(N)=O)c1)N(C)C.
What is the InChIKey of 3-[3-[1-(dimethylamino)ethyl]phenyl]propyl carbamate?
The InChIKey is YOYDBGYYBHAADD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-11(16(2)3)13-8-4-6-12(10-13)7-5-9-18-14(15)17/h4,6,8,10-11H,5,7,9H2,1-3H3,(H2,15,17).
What are the key properties of 3-[3-[1-(dimethylamino)ethyl]phenyl]propyl carbamate?
3-[3-[1-(dimethylamino)ethyl]phenyl]propyl carbamate has a molecular weight of 250.34 g/mol, XLogP of 2.34, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[1-(dimethylamino)ethyl]phenyl]propyl carbamate is sourced from PubChem (CID 91318489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).