2-(1-aminocyclobutyl)-N-[(3-chlorophenyl)methyl]-N-propan-2-ylacetamide

C16H23ClN2O — CID 79854440

IUPAC2-(1-aminocyclobutyl)-N-[(3-chlorophenyl)methyl]-N-propan-2-ylacetamide
SMILESCC(C)N(Cc1cccc(Cl)c1)C(=O)CC1(N)CCC1
InChIInChI=1S/C16H23ClN2O/c1-12(2)19(11-13-5-3-6-14(17)9-13)15(20)10-16(18)7-4-8-16/h3,5-6,9,12H,4,7-8,10-11,18H2,1-2H3
InChIKeyMOPGDURUNHESOW-UHFFFAOYSA-N
MW294.83 g/mol
LogP3.35
Rot. Bonds5

About 2-(1-aminocyclobutyl)-N-[(3-chlorophenyl)methyl]-N-propan-2-ylacetamide

2-(1-aminocyclobutyl)-N-[(3-chlorophenyl)methyl]-N-propan-2-ylacetamide (PubChem CID 79854440) has the molecular formula C16H23ClN2O and a molecular weight of 294.83 g/mol. Its IUPAC name is 2-(1-aminocyclobutyl)-N-[(3-chlorophenyl)methyl]-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-(1-aminocyclobutyl)-N-[(3-chlorophenyl)methyl]-N-propan-2-ylacetamide
PubChem CID79854440
Molecular FormulaC16H23ClN2O
Molecular Weight294.83 g/mol
Exact Mass294.15
IUPAC Name2-(1-aminocyclobutyl)-N-[(3-chlorophenyl)methyl]-N-propan-2-ylacetamide
SMILESCC(C)N(Cc1cccc(Cl)c1)C(=O)CC1(N)CCC1
InChIInChI=1S/C16H23ClN2O/c1-12(2)19(11-13-5-3-6-14(17)9-13)15(20)10-16(18)7-4-8-16/h3,5-6,9,12H,4,7-8,10-11,18H2,1-2H3
InChIKeyMOPGDURUNHESOW-UHFFFAOYSA-N
XLogP3.35
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.83
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(1-aminocyclopentyl)-N-[(3-chlorophenyl)methyl]-N-ethylacetamide
CID 64684681
4-chloro-N-[(3-chlorophenyl)methyl]-N-propan-2-ylbutanamide
CID 63308078
2-(2-aminoethoxy)-N-[(3-chlorophenyl)methyl]-N-propan-2-ylacetamide
CID 79473076
N-[(3-chlorophenyl)methyl]-2-(cyclopropylamino)-N-propan-2-ylacetamide
CID 54871076
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[(3-chlorophenyl)methyl]-N-propan-2-ylacetamide
CID 119723223
3-amino-4-[(3-chlorophenyl)methyl-propan-2-ylamino]-4-oxobutanoic acid
CID 64896697
2-(aminomethyl)-N-[(3-chlorophenyl)methyl]-N-propan-2-ylbutanamide
CID 65227482
2-(1-aminocyclobutyl)-N-methyl-N-[(3-methylphenyl)methyl]acetamide
CID 79854781
ethyl 2-[(3-chlorophenyl)methyl-propan-2-ylamino]acetate
CID 60775299
(3-chlorophenyl)methyl 2-(1-aminocyclopentyl)acetate
CID 65127171
N-[(3-chlorophenyl)methyl]-2-morpholin-2-yl-N-propan-2-ylacetamide
CID 66426574
1-[2-[(3-chlorophenyl)methyl-methylamino]ethyl]cyclohexan-1-amine
CID 64679518

Frequently Asked Questions

What is the IUPAC name of 2-(1-aminocyclobutyl)-N-[(3-chlorophenyl)methyl]-N-propan-2-ylacetamide?
The IUPAC name of 2-(1-aminocyclobutyl)-N-[(3-chlorophenyl)methyl]-N-propan-2-ylacetamide (CID 79854440) is 2-(1-aminocyclobutyl)-N-[(3-chlorophenyl)methyl]-N-propan-2-ylacetamide.
What is the SMILES notation for 2-(1-aminocyclobutyl)-N-[(3-chlorophenyl)methyl]-N-propan-2-ylacetamide?
The canonical SMILES for 2-(1-aminocyclobutyl)-N-[(3-chlorophenyl)methyl]-N-propan-2-ylacetamide is CC(C)N(Cc1cccc(Cl)c1)C(=O)CC1(N)CCC1.
What is the InChIKey of 2-(1-aminocyclobutyl)-N-[(3-chlorophenyl)methyl]-N-propan-2-ylacetamide?
The InChIKey is MOPGDURUNHESOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23ClN2O/c1-12(2)19(11-13-5-3-6-14(17)9-13)15(20)10-16(18)7-4-8-16/h3,5-6,9,12H,4,7-8,10-11,18H2,1-2H3.
What are the key properties of 2-(1-aminocyclobutyl)-N-[(3-chlorophenyl)methyl]-N-propan-2-ylacetamide?
2-(1-aminocyclobutyl)-N-[(3-chlorophenyl)methyl]-N-propan-2-ylacetamide has a molecular weight of 294.83 g/mol, XLogP of 3.35, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-aminocyclobutyl)-N-[(3-chlorophenyl)methyl]-N-propan-2-ylacetamide is sourced from PubChem (CID 79854440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).