2-(aminomethyl)-4,4-dimethyl-N-(2-propan-2-yloxyphenyl)pentanamide

C17H28N2O2 — CID 107471273

IUPAC2-(aminomethyl)-4,4-dimethyl-N-(2-propan-2-yloxyphenyl)pentanamide
SMILESCC(C)Oc1ccccc1NC(=O)C(CN)CC(C)(C)C
InChIInChI=1S/C17H28N2O2/c1-12(2)21-15-9-7-6-8-14(15)19-16(20)13(11-18)10-17(3,4)5/h6-9,12-13H,10-11,18H2,1-5H3,(H,19,20)
InChIKeyWVGYAVJIRTXNDA-UHFFFAOYSA-N
MW292.42 g/mol
LogP3.42
Rot. Bonds6

About 2-(aminomethyl)-4,4-dimethyl-N-(2-propan-2-yloxyphenyl)pentanamide

2-(aminomethyl)-4,4-dimethyl-N-(2-propan-2-yloxyphenyl)pentanamide (PubChem CID 107471273) has the molecular formula C17H28N2O2 and a molecular weight of 292.42 g/mol. Its IUPAC name is 2-(aminomethyl)-4,4-dimethyl-N-(2-propan-2-yloxyphenyl)pentanamide.

Molecular Properties

Compound Name2-(aminomethyl)-4,4-dimethyl-N-(2-propan-2-yloxyphenyl)pentanamide
PubChem CID107471273
Molecular FormulaC17H28N2O2
Molecular Weight292.42 g/mol
Exact Mass292.22
IUPAC Name2-(aminomethyl)-4,4-dimethyl-N-(2-propan-2-yloxyphenyl)pentanamide
SMILESCC(C)Oc1ccccc1NC(=O)C(CN)CC(C)(C)C
InChIInChI=1S/C17H28N2O2/c1-12(2)21-15-9-7-6-8-14(15)19-16(20)13(11-18)10-17(3,4)5/h6-9,12-13H,10-11,18H2,1-5H3,(H,19,20)
InChIKeyWVGYAVJIRTXNDA-UHFFFAOYSA-N
XLogP3.42
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.42
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-3-methoxy-N-(2-propan-2-yloxyphenyl)propanamide
CID 81083212
2-(aminomethyl)-N-(2-ethylsulfanylphenyl)-4,4-dimethylpentanamide
CID 107471470
2-(aminomethyl)-N-(4-fluoro-2-methoxyphenyl)-4,4-dimethylpentanamide
CID 107471938
1-amino-3-(2-propan-2-yloxyphenyl)urea
CID 82283845
N,N'-bis(2-propan-2-yloxyphenyl)oxamide
CID 108987298
2-(aminomethyl)-N-(3-chloro-2-methylphenyl)-4,4-dimethylpentanamide
CID 107470943
2-hydroxy-2-methyl-3-[(2-propan-2-yloxyphenyl)carbamoylamino]propanoic acid
CID 122076220
2-methyl-1-(2-propan-2-yloxyanilino)propan-2-ol
CID 39246107
1-(4-hydroxy-2,2-dimethylbutyl)-3-(2-propan-2-yloxyphenyl)urea
CID 111473765
2-(aminomethyl)-N-(2-propan-2-yloxy-3-pyridinyl)butanamide
CID 65229294
N-(2-methoxyphenyl)-N'-(2-propan-2-yloxyphenyl)propanediamide
CID 108955532
2-(aminomethyl)-N-(2,6-diethylphenyl)-4,4-dimethylpentanamide
CID 107470936

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-4,4-dimethyl-N-(2-propan-2-yloxyphenyl)pentanamide?
The IUPAC name of 2-(aminomethyl)-4,4-dimethyl-N-(2-propan-2-yloxyphenyl)pentanamide (CID 107471273) is 2-(aminomethyl)-4,4-dimethyl-N-(2-propan-2-yloxyphenyl)pentanamide.
What is the SMILES notation for 2-(aminomethyl)-4,4-dimethyl-N-(2-propan-2-yloxyphenyl)pentanamide?
The canonical SMILES for 2-(aminomethyl)-4,4-dimethyl-N-(2-propan-2-yloxyphenyl)pentanamide is CC(C)Oc1ccccc1NC(=O)C(CN)CC(C)(C)C.
What is the InChIKey of 2-(aminomethyl)-4,4-dimethyl-N-(2-propan-2-yloxyphenyl)pentanamide?
The InChIKey is WVGYAVJIRTXNDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O2/c1-12(2)21-15-9-7-6-8-14(15)19-16(20)13(11-18)10-17(3,4)5/h6-9,12-13H,10-11,18H2,1-5H3,(H,19,20).
What are the key properties of 2-(aminomethyl)-4,4-dimethyl-N-(2-propan-2-yloxyphenyl)pentanamide?
2-(aminomethyl)-4,4-dimethyl-N-(2-propan-2-yloxyphenyl)pentanamide has a molecular weight of 292.42 g/mol, XLogP of 3.42, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-4,4-dimethyl-N-(2-propan-2-yloxyphenyl)pentanamide is sourced from PubChem (CID 107471273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).