N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-2-cyclopentyloxybutanamide

C20H32N2O2 — CID 119525775

IUPACN-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-2-cyclopentyloxybutanamide
SMILESCCC(OC1CCCC1)C(=O)NCC(N)c1ccc(C(C)C)cc1
InChIInChI=1S/C20H32N2O2/c1-4-19(24-17-7-5-6-8-17)20(23)22-13-18(21)16-11-9-15(10-12-16)14(2)3/h9-12,14,17-19H,4-8,13,21H2,1-3H3,(H,22,23)
InChIKeyVKHIRVNTMRAZHT-UHFFFAOYSA-N
MW332.49 g/mol
LogP3.66
Rot. Bonds8

About N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-2-cyclopentyloxybutanamide

N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-2-cyclopentyloxybutanamide (PubChem CID 119525775) has the molecular formula C20H32N2O2 and a molecular weight of 332.49 g/mol. Its IUPAC name is N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-2-cyclopentyloxybutanamide.

Molecular Properties

Compound NameN-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-2-cyclopentyloxybutanamide
PubChem CID119525775
Molecular FormulaC20H32N2O2
Molecular Weight332.49 g/mol
Exact Mass332.25
IUPAC NameN-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-2-cyclopentyloxybutanamide
SMILESCCC(OC1CCCC1)C(=O)NCC(N)c1ccc(C(C)C)cc1
InChIInChI=1S/C20H32N2O2/c1-4-19(24-17-7-5-6-8-17)20(23)22-13-18(21)16-11-9-15(10-12-16)14(2)3/h9-12,14,17-19H,4-8,13,21H2,1-3H3,(H,22,23)
InChIKeyVKHIRVNTMRAZHT-UHFFFAOYSA-N
XLogP3.66
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.49
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-amino-2-phenylethyl)-2-cyclohexyloxybutanamide
CID 119528830
N-(2-amino-2-phenylethyl)-2-(3-methylcyclohexyl)oxybutanamide;hydrochloride
CID 119528546
N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]cyclopentanecarboxamide
CID 119525287
2-cyclohexyloxy-N-[(2R)-2-(ethylamino)propyl]butanamide;hydrochloride
CID 120654844
N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]bicyclo[3.1.0]hexane-6-carboxamide;hydrochloride
CID 119525798
N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-2-(cyclohexylcarbamoylamino)acetamide
CID 119526973
2-(2-cyclohexyloxybutanoylamino)acetic acid
CID 119350338
N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-2-butoxyacetamide
CID 119525929
N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-2-propoxyacetamide
CID 119526031
N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-1-propylsulfonylpiperidine-2-carboxamide
CID 119527255
(2S)-2-cyclopentyloxy-N-[(1,5-dimethylpyrrol-2-yl)methyl]butanamide
CID 95625366
N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-2-ethoxy-2-phenylacetamide;hydrochloride
CID 119525446

Frequently Asked Questions

What is the IUPAC name of N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-2-cyclopentyloxybutanamide?
The IUPAC name of N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-2-cyclopentyloxybutanamide (CID 119525775) is N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-2-cyclopentyloxybutanamide.
What is the SMILES notation for N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-2-cyclopentyloxybutanamide?
The canonical SMILES for N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-2-cyclopentyloxybutanamide is CCC(OC1CCCC1)C(=O)NCC(N)c1ccc(C(C)C)cc1.
What is the InChIKey of N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-2-cyclopentyloxybutanamide?
The InChIKey is VKHIRVNTMRAZHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N2O2/c1-4-19(24-17-7-5-6-8-17)20(23)22-13-18(21)16-11-9-15(10-12-16)14(2)3/h9-12,14,17-19H,4-8,13,21H2,1-3H3,(H,22,23).
What are the key properties of N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-2-cyclopentyloxybutanamide?
N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-2-cyclopentyloxybutanamide has a molecular weight of 332.49 g/mol, XLogP of 3.66, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-2-cyclopentyloxybutanamide is sourced from PubChem (CID 119525775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).