2-(propan-2-ylamino)ethyl N-(3,4-dichlorophenyl)carbamate

C12H16Cl2N2O2 — CID 79337426

IUPAC2-(propan-2-ylamino)ethyl N-(3,4-dichlorophenyl)carbamate
SMILESCC(C)NCCOC(=O)Nc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C12H16Cl2N2O2/c1-8(2)15-5-6-18-12(17)16-9-3-4-10(13)11(14)7-9/h3-4,7-8,15H,5-6H2,1-2H3,(H,16,17)
InChIKeyRTTPQHXSRJGXRU-UHFFFAOYSA-N
MW291.18 g/mol
LogP3.54
Rot. Bonds5

About 2-(propan-2-ylamino)ethyl N-(3,4-dichlorophenyl)carbamate

2-(propan-2-ylamino)ethyl N-(3,4-dichlorophenyl)carbamate (PubChem CID 79337426) has the molecular formula C12H16Cl2N2O2 and a molecular weight of 291.18 g/mol. Its IUPAC name is 2-(propan-2-ylamino)ethyl N-(3,4-dichlorophenyl)carbamate.

Molecular Properties

Compound Name2-(propan-2-ylamino)ethyl N-(3,4-dichlorophenyl)carbamate
PubChem CID79337426
Molecular FormulaC12H16Cl2N2O2
Molecular Weight291.18 g/mol
Exact Mass290.06
IUPAC Name2-(propan-2-ylamino)ethyl N-(3,4-dichlorophenyl)carbamate
SMILESCC(C)NCCOC(=O)Nc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C12H16Cl2N2O2/c1-8(2)15-5-6-18-12(17)16-9-3-4-10(13)11(14)7-9/h3-4,7-8,15H,5-6H2,1-2H3,(H,16,17)
InChIKeyRTTPQHXSRJGXRU-UHFFFAOYSA-N
XLogP3.54
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.18
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[(3,4-dichlorophenyl)carbamoyloxy]ethyl 3-methylbutanoate
CID 159240660
2-(propan-2-ylamino)ethyl N-(4-fluorophenyl)carbamate
CID 79338343
2-[(3,4-dichlorophenyl)carbamoyloxy]ethyl propanoate
CID 159240658
2-aminoethyl N-(3-chloro-4-methylphenyl)carbamate
CID 79336918
2-[[4-chloro-6-(ethylamino)-1,3,5-triazin-2-yl]amino]ethyl N-(3,4-dichlorophenyl)carbamate
CID 27378837
[(E)-but-2-enyl] N-(3,4-dichlorophenyl)carbamate
CID 134122952
(2S)-2-[(3,4-dichlorophenyl)carbamoyloxy]-4-methylpentanoic acid
CID 57172176
3-bromopropyl N-(3-chloro-4-methylphenyl)carbamate
CID 103970695
(2S)-2-amino-N-(3,4-dichlorophenyl)propanamide
CID 22690595
2-methylpropyl N-(4-chloro-3-hydroxyphenyl)carbamate
CID 64786534
2-piperidin-1-ylethyl N-(3-chloro-4-methylphenyl)carbamate;hydrochloride
CID 138398474
2-(2,4-dibromophenoxy)ethyl N-(3,4-dichlorophenyl)carbamate
CID 2244801

Frequently Asked Questions

What is the IUPAC name of 2-(propan-2-ylamino)ethyl N-(3,4-dichlorophenyl)carbamate?
The IUPAC name of 2-(propan-2-ylamino)ethyl N-(3,4-dichlorophenyl)carbamate (CID 79337426) is 2-(propan-2-ylamino)ethyl N-(3,4-dichlorophenyl)carbamate.
What is the SMILES notation for 2-(propan-2-ylamino)ethyl N-(3,4-dichlorophenyl)carbamate?
The canonical SMILES for 2-(propan-2-ylamino)ethyl N-(3,4-dichlorophenyl)carbamate is CC(C)NCCOC(=O)Nc1ccc(Cl)c(Cl)c1.
What is the InChIKey of 2-(propan-2-ylamino)ethyl N-(3,4-dichlorophenyl)carbamate?
The InChIKey is RTTPQHXSRJGXRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16Cl2N2O2/c1-8(2)15-5-6-18-12(17)16-9-3-4-10(13)11(14)7-9/h3-4,7-8,15H,5-6H2,1-2H3,(H,16,17).
What are the key properties of 2-(propan-2-ylamino)ethyl N-(3,4-dichlorophenyl)carbamate?
2-(propan-2-ylamino)ethyl N-(3,4-dichlorophenyl)carbamate has a molecular weight of 291.18 g/mol, XLogP of 3.54, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(propan-2-ylamino)ethyl N-(3,4-dichlorophenyl)carbamate is sourced from PubChem (CID 79337426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).