2-(propylamino)ethyl N-(3-chlorophenyl)carbamate

C12H17ClN2O2 — CID 79337718

IUPAC2-(propylamino)ethyl N-(3-chlorophenyl)carbamate
SMILESCCCNCCOC(=O)Nc1cccc(Cl)c1
InChIInChI=1S/C12H17ClN2O2/c1-2-6-14-7-8-17-12(16)15-11-5-3-4-10(13)9-11/h3-5,9,14H,2,6-8H2,1H3,(H,15,16)
InChIKeyUQLWLVMBWOZGKE-UHFFFAOYSA-N
MW256.73 g/mol
LogP2.89
Rot. Bonds6

About 2-(propylamino)ethyl N-(3-chlorophenyl)carbamate

2-(propylamino)ethyl N-(3-chlorophenyl)carbamate (PubChem CID 79337718) has the molecular formula C12H17ClN2O2 and a molecular weight of 256.73 g/mol. Its IUPAC name is 2-(propylamino)ethyl N-(3-chlorophenyl)carbamate.

Molecular Properties

Compound Name2-(propylamino)ethyl N-(3-chlorophenyl)carbamate
PubChem CID79337718
Molecular FormulaC12H17ClN2O2
Molecular Weight256.73 g/mol
Exact Mass256.10
IUPAC Name2-(propylamino)ethyl N-(3-chlorophenyl)carbamate
SMILESCCCNCCOC(=O)Nc1cccc(Cl)c1
InChIInChI=1S/C12H17ClN2O2/c1-2-6-14-7-8-17-12(16)15-11-5-3-4-10(13)9-11/h3-5,9,14H,2,6-8H2,1H3,(H,15,16)
InChIKeyUQLWLVMBWOZGKE-UHFFFAOYSA-N
XLogP2.89
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.73
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-(propylamino)ethyl N-(3-chlorophenyl)carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(dimethylcarbamoylamino)ethyl N-(3-chlorophenyl)carbamate
CID 71675480
2-(propylamino)ethyl 3-chlorobenzoate
CID 82532787
4-chlorobutyl N-(3-chlorophenyl)carbamate
CID 112683015
methyl N-(3-chlorophenyl)carbamate
CID 16529
2-(propylamino)ethyl 3-acetamidobenzoate
CID 82532761
2-(2-chlorophenoxy)ethyl N-(3-chlorophenyl)carbamate
CID 2244784
N-(3-chlorophenyl)-2-(2-methoxyethylamino)acetamide
CID 28565603
butyl 2-(3-chloroanilino)-2-oxoacetate
CID 6424255
2-[bis[2-[(3-chlorophenyl)carbamoyloxy]ethyl]azaniumyl]acetate
CID 27108720
[3-chloro-2,2-bis(chloromethyl)propyl] N-(3-chlorophenyl)carbamate
CID 819742
propyl N-(3-bromophenyl)carbamate
CID 19165876
ethyl N-[(3-chlorophenyl)carbamoylamino]carbamate
CID 5227471

Frequently Asked Questions

What is the IUPAC name of 2-(propylamino)ethyl N-(3-chlorophenyl)carbamate?
The IUPAC name of 2-(propylamino)ethyl N-(3-chlorophenyl)carbamate (CID 79337718) is 2-(propylamino)ethyl N-(3-chlorophenyl)carbamate.
What is the SMILES notation for 2-(propylamino)ethyl N-(3-chlorophenyl)carbamate?
The canonical SMILES for 2-(propylamino)ethyl N-(3-chlorophenyl)carbamate is CCCNCCOC(=O)Nc1cccc(Cl)c1.
What is the InChIKey of 2-(propylamino)ethyl N-(3-chlorophenyl)carbamate?
The InChIKey is UQLWLVMBWOZGKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN2O2/c1-2-6-14-7-8-17-12(16)15-11-5-3-4-10(13)9-11/h3-5,9,14H,2,6-8H2,1H3,(H,15,16).
What are the key properties of 2-(propylamino)ethyl N-(3-chlorophenyl)carbamate?
2-(propylamino)ethyl N-(3-chlorophenyl)carbamate has a molecular weight of 256.73 g/mol, XLogP of 2.89, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(propylamino)ethyl N-(3-chlorophenyl)carbamate is sourced from PubChem (CID 79337718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).