2-amino-N-[1-(4-chlorophenyl)ethyl]-4-methoxy-N-methylbutanamide

C14H21ClN2O2 — CID 62474124

IUPAC2-amino-N-[1-(4-chlorophenyl)ethyl]-4-methoxy-N-methylbutanamide
SMILESCOCCC(N)C(=O)N(C)C(C)c1ccc(Cl)cc1
InChIInChI=1S/C14H21ClN2O2/c1-10(11-4-6-12(15)7-5-11)17(2)14(18)13(16)8-9-19-3/h4-7,10,13H,8-9,16H2,1-3H3
InChIKeySAEIFEXEIVYCSN-UHFFFAOYSA-N
MW284.79 g/mol
LogP2.22
Rot. Bonds6

About 2-amino-N-[1-(4-chlorophenyl)ethyl]-4-methoxy-N-methylbutanamide

2-amino-N-[1-(4-chlorophenyl)ethyl]-4-methoxy-N-methylbutanamide (PubChem CID 62474124) has the molecular formula C14H21ClN2O2 and a molecular weight of 284.79 g/mol. Its IUPAC name is 2-amino-N-[1-(4-chlorophenyl)ethyl]-4-methoxy-N-methylbutanamide.

Molecular Properties

Compound Name2-amino-N-[1-(4-chlorophenyl)ethyl]-4-methoxy-N-methylbutanamide
PubChem CID62474124
Molecular FormulaC14H21ClN2O2
Molecular Weight284.79 g/mol
Exact Mass284.13
IUPAC Name2-amino-N-[1-(4-chlorophenyl)ethyl]-4-methoxy-N-methylbutanamide
SMILESCOCCC(N)C(=O)N(C)C(C)c1ccc(Cl)cc1
InChIInChI=1S/C14H21ClN2O2/c1-10(11-4-6-12(15)7-5-11)17(2)14(18)13(16)8-9-19-3/h4-7,10,13H,8-9,16H2,1-3H3
InChIKeySAEIFEXEIVYCSN-UHFFFAOYSA-N
XLogP2.22
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.79
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-[1-(4-chlorophenyl)ethyl]-N-methyl-4-methylsulfonylbutanamide
CID 60938421
(2R)-2-amino-N-[1-(4-chlorophenyl)ethyl]-N,3,3-trimethylbutanamide
CID 103929186
3-amino-N-[1-(4-chlorophenyl)ethyl]-3-hydroxyimino-N,2-dimethylpropanamide
CID 76979825
1-(4-chlorophenyl)-3-methoxypropan-1-amine;hydrochloride
CID 71756127
3-amino-1-(4-chlorophenyl)-5-methoxypentan-1-ol
CID 103967403
N-[1-(4-chlorophenyl)ethyl]-N,3-dimethylbutanamide
CID 134003876
3-amino-1-[1-(4-chlorophenyl)ethyl]-1-methylurea
CID 62979253
2-amino-N-methyl-N-(1-phenylethyl)pentanamide;hydrochloride
CID 119271101
4-amino-N-[1-(4-chlorophenyl)ethyl]-N-methylbutanamide
CID 54870716
(2S)-2-amino-N-methyl-N-[(1S)-1-(4-methylsulfonylphenyl)ethyl]pentanamide
CID 124682679
1-[1-(4-chlorophenyl)ethyl]-3,3-diethyl-1-methylurea
CID 115618579
3-amino-5-methoxy-1-(4-propan-2-ylphenyl)pentan-2-one
CID 116567406

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[1-(4-chlorophenyl)ethyl]-4-methoxy-N-methylbutanamide?
The IUPAC name of 2-amino-N-[1-(4-chlorophenyl)ethyl]-4-methoxy-N-methylbutanamide (CID 62474124) is 2-amino-N-[1-(4-chlorophenyl)ethyl]-4-methoxy-N-methylbutanamide.
What is the SMILES notation for 2-amino-N-[1-(4-chlorophenyl)ethyl]-4-methoxy-N-methylbutanamide?
The canonical SMILES for 2-amino-N-[1-(4-chlorophenyl)ethyl]-4-methoxy-N-methylbutanamide is COCCC(N)C(=O)N(C)C(C)c1ccc(Cl)cc1.
What is the InChIKey of 2-amino-N-[1-(4-chlorophenyl)ethyl]-4-methoxy-N-methylbutanamide?
The InChIKey is SAEIFEXEIVYCSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2O2/c1-10(11-4-6-12(15)7-5-11)17(2)14(18)13(16)8-9-19-3/h4-7,10,13H,8-9,16H2,1-3H3.
What are the key properties of 2-amino-N-[1-(4-chlorophenyl)ethyl]-4-methoxy-N-methylbutanamide?
2-amino-N-[1-(4-chlorophenyl)ethyl]-4-methoxy-N-methylbutanamide has a molecular weight of 284.79 g/mol, XLogP of 2.22, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[1-(4-chlorophenyl)ethyl]-4-methoxy-N-methylbutanamide is sourced from PubChem (CID 62474124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).