methyl N-[2-[1-(2-chlorophenyl)ethylamino]ethyl]carbamate;propane

C15H25ClN2O2 — CID 159889089

IUPACmethyl N-[2-[1-(2-chlorophenyl)ethylamino]ethyl]carbamate;propane
SMILESCCC.COC(=O)NCCNC(C)c1ccccc1Cl
InChIInChI=1S/C12H17ClN2O2.C3H8/c1-9(10-5-3-4-6-11(10)13)14-7-8-15-12(16)17-2;1-3-2/h3-6,9,14H,7-8H2,1-2H3,(H,15,16);3H2,1-2H3
InChIKeyNUMZBZFFRUFAJS-UHFFFAOYSA-N
MW300.83 g/mol
LogP3.76
Rot. Bonds5

About methyl N-[2-[1-(2-chlorophenyl)ethylamino]ethyl]carbamate;propane

methyl N-[2-[1-(2-chlorophenyl)ethylamino]ethyl]carbamate;propane (PubChem CID 159889089) has the molecular formula C15H25ClN2O2 and a molecular weight of 300.83 g/mol. Its IUPAC name is methyl N-[2-[1-(2-chlorophenyl)ethylamino]ethyl]carbamate;propane.

Molecular Properties

Compound Namemethyl N-[2-[1-(2-chlorophenyl)ethylamino]ethyl]carbamate;propane
PubChem CID159889089
Molecular FormulaC15H25ClN2O2
Molecular Weight300.83 g/mol
Exact Mass300.16
IUPAC Namemethyl N-[2-[1-(2-chlorophenyl)ethylamino]ethyl]carbamate;propane
SMILESCCC.COC(=O)NCCNC(C)c1ccccc1Cl
InChIInChI=1S/C12H17ClN2O2.C3H8/c1-9(10-5-3-4-6-11(10)13)14-7-8-15-12(16)17-2;1-3-2/h3-6,9,14H,7-8H2,1-2H3,(H,15,16);3H2,1-2H3
InChIKeyNUMZBZFFRUFAJS-UHFFFAOYSA-N
XLogP3.76
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.83
LogP ≤ 53.76
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

N-[2-[1-(2-chlorophenyl)ethylamino]ethyl]cyclopropanecarboxamide
CID 113219502
methyl 4-[1-(2-chlorophenyl)ethylamino]butanoate
CID 60694137
ethyl 3-[[(1S)-1-(2-chlorophenyl)ethyl]amino]propanoate
CID 81378408
(1S)-1-(2-chlorophenyl)-N-(2-propan-2-yloxyethyl)ethanamine
CID 81379566
N-tert-butyl-3-[1-(2-chlorophenyl)ethylamino]propanamide
CID 112688495
4-[1-(2-chlorophenyl)ethylamino]-1-methoxybutan-2-ol
CID 103906081
2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]-N-(propylcarbamoyl)acetamide
CID 9306320
N-[2-[1-(2-methoxyphenyl)ethylamino]ethyl]-2-methylpropanamide
CID 43202951
N-[(1S)-1-(2-chlorophenyl)ethyl]-3,3-diethoxypropan-1-amine
CID 81378294
methyl (Z)-4-[1-(2-chlorophenyl)ethylamino]-2-ethylbut-2-enoate
CID 103245792
N-benzhydryl-2-[[(1S)-1-(2-chlorophenyl)ethyl]amino]acetamide
CID 9306893
2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]-N-pentan-3-ylacetamide
CID 81377630

Frequently Asked Questions

What is the IUPAC name of methyl N-[2-[1-(2-chlorophenyl)ethylamino]ethyl]carbamate;propane?
The IUPAC name of methyl N-[2-[1-(2-chlorophenyl)ethylamino]ethyl]carbamate;propane (CID 159889089) is methyl N-[2-[1-(2-chlorophenyl)ethylamino]ethyl]carbamate;propane.
What is the SMILES notation for methyl N-[2-[1-(2-chlorophenyl)ethylamino]ethyl]carbamate;propane?
The canonical SMILES for methyl N-[2-[1-(2-chlorophenyl)ethylamino]ethyl]carbamate;propane is CCC.COC(=O)NCCNC(C)c1ccccc1Cl.
What is the InChIKey of methyl N-[2-[1-(2-chlorophenyl)ethylamino]ethyl]carbamate;propane?
The InChIKey is NUMZBZFFRUFAJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN2O2.C3H8/c1-9(10-5-3-4-6-11(10)13)14-7-8-15-12(16)17-2;1-3-2/h3-6,9,14H,7-8H2,1-2H3,(H,15,16);3H2,1-2H3.
What are the key properties of methyl N-[2-[1-(2-chlorophenyl)ethylamino]ethyl]carbamate;propane?
methyl N-[2-[1-(2-chlorophenyl)ethylamino]ethyl]carbamate;propane has a molecular weight of 300.83 g/mol, XLogP of 3.76, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[2-[1-(2-chlorophenyl)ethylamino]ethyl]carbamate;propane is sourced from PubChem (CID 159889089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).