N-[1-(3-chlorophenyl)propyl]-2-(ethylamino)-2-methylpropanamide

C15H23ClN2O — CID 62833393

IUPACN-[1-(3-chlorophenyl)propyl]-2-(ethylamino)-2-methylpropanamide
SMILESCCNC(C)(C)C(=O)NC(CC)c1cccc(Cl)c1
InChIInChI=1S/C15H23ClN2O/c1-5-13(11-8-7-9-12(16)10-11)18-14(19)15(3,4)17-6-2/h7-10,13,17H,5-6H2,1-4H3,(H,18,19)
InChIKeyYCLXQUGCKXWMDO-UHFFFAOYSA-N
MW282.81 g/mol
LogP3.30
Rot. Bonds6

About N-[1-(3-chlorophenyl)propyl]-2-(ethylamino)-2-methylpropanamide

N-[1-(3-chlorophenyl)propyl]-2-(ethylamino)-2-methylpropanamide (PubChem CID 62833393) has the molecular formula C15H23ClN2O and a molecular weight of 282.81 g/mol. Its IUPAC name is N-[1-(3-chlorophenyl)propyl]-2-(ethylamino)-2-methylpropanamide.

Molecular Properties

Compound NameN-[1-(3-chlorophenyl)propyl]-2-(ethylamino)-2-methylpropanamide
PubChem CID62833393
Molecular FormulaC15H23ClN2O
Molecular Weight282.81 g/mol
Exact Mass282.15
IUPAC NameN-[1-(3-chlorophenyl)propyl]-2-(ethylamino)-2-methylpropanamide
SMILESCCNC(C)(C)C(=O)NC(CC)c1cccc(Cl)c1
InChIInChI=1S/C15H23ClN2O/c1-5-13(11-8-7-9-12(16)10-11)18-14(19)15(3,4)17-6-2/h7-10,13,17H,5-6H2,1-4H3,(H,18,19)
InChIKeyYCLXQUGCKXWMDO-UHFFFAOYSA-N
XLogP3.30
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.81
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-N-[1-(3-chlorophenyl)propyl]-2-methylbutanamide
CID 79796813
2-[1-(3-chlorophenyl)propylamino]-2-methylpropanamide
CID 61210694
N-[1-(4-bromophenyl)propyl]-2-(ethylamino)-2-methylpropanamide
CID 62833060
1-[1-(3-chlorophenyl)propyl]-3-(2-hydroxyethyl)urea
CID 110894209
N-[1-(3-chlorophenyl)ethyl]-2-(ethylamino)-N,2-dimethylpropanamide
CID 62836468
(2R)-2-amino-N-[1-(3-chlorophenyl)propyl]-3-methylbutanamide
CID 79011821
2-amino-N-[1-(3-chlorophenyl)propyl]-3-methoxypropanamide
CID 81082683
(Z)-N-[1-(3-chlorophenyl)propyl]-2-methylpent-2-enamide
CID 60553202
3-amino-4-[1-(3-chlorophenyl)propylamino]-4-oxobutanoic acid
CID 64894322
2-(ethylamino)-N-[1-(3-hydroxyphenyl)ethyl]-2-methylpropanamide
CID 55121666
6-chloro-N-[1-(3-chlorophenyl)propyl]pyridine-2-carboxamide
CID 62234195
3-amino-N-[1-(3-chlorophenyl)propyl]-3-phenylpropanamide;hydrochloride
CID 119949676

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-chlorophenyl)propyl]-2-(ethylamino)-2-methylpropanamide?
The IUPAC name of N-[1-(3-chlorophenyl)propyl]-2-(ethylamino)-2-methylpropanamide (CID 62833393) is N-[1-(3-chlorophenyl)propyl]-2-(ethylamino)-2-methylpropanamide.
What is the SMILES notation for N-[1-(3-chlorophenyl)propyl]-2-(ethylamino)-2-methylpropanamide?
The canonical SMILES for N-[1-(3-chlorophenyl)propyl]-2-(ethylamino)-2-methylpropanamide is CCNC(C)(C)C(=O)NC(CC)c1cccc(Cl)c1.
What is the InChIKey of N-[1-(3-chlorophenyl)propyl]-2-(ethylamino)-2-methylpropanamide?
The InChIKey is YCLXQUGCKXWMDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClN2O/c1-5-13(11-8-7-9-12(16)10-11)18-14(19)15(3,4)17-6-2/h7-10,13,17H,5-6H2,1-4H3,(H,18,19).
What are the key properties of N-[1-(3-chlorophenyl)propyl]-2-(ethylamino)-2-methylpropanamide?
N-[1-(3-chlorophenyl)propyl]-2-(ethylamino)-2-methylpropanamide has a molecular weight of 282.81 g/mol, XLogP of 3.30, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-chlorophenyl)propyl]-2-(ethylamino)-2-methylpropanamide is sourced from PubChem (CID 62833393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).