2-amino-2-methyl-N-[3-(3-methylbutoxy)phenyl]pentanamide

C17H28N2O2 — CID 119753505

IUPAC2-amino-2-methyl-N-[3-(3-methylbutoxy)phenyl]pentanamide
SMILESCCCC(C)(N)C(=O)Nc1cccc(OCCC(C)C)c1
InChIInChI=1S/C17H28N2O2/c1-5-10-17(4,18)16(20)19-14-7-6-8-15(12-14)21-11-9-13(2)3/h6-8,12-13H,5,9-11,18H2,1-4H3,(H,19,20)
InChIKeyTVWPCYHDHKDBDI-UHFFFAOYSA-N
MW292.42 g/mol
LogP3.57
Rot. Bonds8

About 2-amino-2-methyl-N-[3-(3-methylbutoxy)phenyl]pentanamide

2-amino-2-methyl-N-[3-(3-methylbutoxy)phenyl]pentanamide (PubChem CID 119753505) has the molecular formula C17H28N2O2 and a molecular weight of 292.42 g/mol. Its IUPAC name is 2-amino-2-methyl-N-[3-(3-methylbutoxy)phenyl]pentanamide.

Molecular Properties

Compound Name2-amino-2-methyl-N-[3-(3-methylbutoxy)phenyl]pentanamide
PubChem CID119753505
Molecular FormulaC17H28N2O2
Molecular Weight292.42 g/mol
Exact Mass292.22
IUPAC Name2-amino-2-methyl-N-[3-(3-methylbutoxy)phenyl]pentanamide
SMILESCCCC(C)(N)C(=O)Nc1cccc(OCCC(C)C)c1
InChIInChI=1S/C17H28N2O2/c1-5-10-17(4,18)16(20)19-14-7-6-8-15(12-14)21-11-9-13(2)3/h6-8,12-13H,5,9-11,18H2,1-4H3,(H,19,20)
InChIKeyTVWPCYHDHKDBDI-UHFFFAOYSA-N
XLogP3.57
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.42
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-[3-[3-(dimethylamino)propoxy]phenyl]-2-methylpentanamide;dihydrochloride
CID 119885880
N-[2-(3-acetamidophenoxy)ethyl]-2-amino-2-methylpentanamide
CID 119776248
2-amino-2-methyl-N-[3-(2-methylpropoxy)phenyl]butanamide
CID 79804776
2-amino-N-[3-[(3-fluorophenyl)methoxy]phenyl]-2-methylpentanamide;hydrochloride
CID 119739977
N-(3-butoxyphenyl)-2-[3-(3-methylbutoxy)anilino]acetamide
CID 54824740
3-amino-N-[3-(3-methylbutoxy)phenyl]propanamide
CID 39353480
3-(3-methylbutoxy)-N-(3-propoxyphenyl)benzamide
CID 17096779
2-chloro-N-[3-(3-methylbutoxy)phenyl]propanamide
CID 112501859
2-amino-N-(3-bromophenyl)-2-methylpentanamide
CID 60847337
3-amino-2,2-dimethyl-N-(3-propoxyphenyl)propanamide;hydrochloride
CID 119715008
4-ethoxy-N-[3-(3-methylbutoxy)phenyl]benzamide
CID 17097294
2-amino-2-methyl-N-[3-(propan-2-ylsulfonylmethyl)phenyl]pentanamide
CID 119784272

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-methyl-N-[3-(3-methylbutoxy)phenyl]pentanamide?
The IUPAC name of 2-amino-2-methyl-N-[3-(3-methylbutoxy)phenyl]pentanamide (CID 119753505) is 2-amino-2-methyl-N-[3-(3-methylbutoxy)phenyl]pentanamide.
What is the SMILES notation for 2-amino-2-methyl-N-[3-(3-methylbutoxy)phenyl]pentanamide?
The canonical SMILES for 2-amino-2-methyl-N-[3-(3-methylbutoxy)phenyl]pentanamide is CCCC(C)(N)C(=O)Nc1cccc(OCCC(C)C)c1.
What is the InChIKey of 2-amino-2-methyl-N-[3-(3-methylbutoxy)phenyl]pentanamide?
The InChIKey is TVWPCYHDHKDBDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O2/c1-5-10-17(4,18)16(20)19-14-7-6-8-15(12-14)21-11-9-13(2)3/h6-8,12-13H,5,9-11,18H2,1-4H3,(H,19,20).
What are the key properties of 2-amino-2-methyl-N-[3-(3-methylbutoxy)phenyl]pentanamide?
2-amino-2-methyl-N-[3-(3-methylbutoxy)phenyl]pentanamide has a molecular weight of 292.42 g/mol, XLogP of 3.57, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-methyl-N-[3-(3-methylbutoxy)phenyl]pentanamide is sourced from PubChem (CID 119753505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).