N-(4-amino-2-methylbutyl)-3-propan-2-yloxybenzamide

C15H24N2O2 — CID 66090435

IUPACN-(4-amino-2-methylbutyl)-3-propan-2-yloxybenzamide
SMILESCC(CCN)CNC(=O)c1cccc(OC(C)C)c1
InChIInChI=1S/C15H24N2O2/c1-11(2)19-14-6-4-5-13(9-14)15(18)17-10-12(3)7-8-16/h4-6,9,11-12H,7-8,10,16H2,1-3H3,(H,17,18)
InChIKeyKPPJUOIQROCNBI-UHFFFAOYSA-N
MW264.37 g/mol
LogP2.19
Rot. Bonds7

About N-(4-amino-2-methylbutyl)-3-propan-2-yloxybenzamide

N-(4-amino-2-methylbutyl)-3-propan-2-yloxybenzamide (PubChem CID 66090435) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is N-(4-amino-2-methylbutyl)-3-propan-2-yloxybenzamide.

Molecular Properties

Compound NameN-(4-amino-2-methylbutyl)-3-propan-2-yloxybenzamide
PubChem CID66090435
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC NameN-(4-amino-2-methylbutyl)-3-propan-2-yloxybenzamide
SMILESCC(CCN)CNC(=O)c1cccc(OC(C)C)c1
InChIInChI=1S/C15H24N2O2/c1-11(2)19-14-6-4-5-13(9-14)15(18)17-10-12(3)7-8-16/h4-6,9,11-12H,7-8,10,16H2,1-3H3,(H,17,18)
InChIKeyKPPJUOIQROCNBI-UHFFFAOYSA-N
XLogP2.19
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-amino-2-methylbutyl)-3-(dimethylamino)benzamide
CID 66090676
N-(4-bromo-2-methylbutyl)-3-(difluoromethoxy)benzamide
CID 114316820
N-(4-chloropentyl)-3-propan-2-yloxybenzamide
CID 106130049
N-[2-(2-hydroxyethyl)pentyl]-3-propan-2-yloxybenzamide
CID 106115912
N-(5-amino-2,2-dimethylpentyl)-3-propan-2-yloxybenzamide
CID 106140510
N-propan-2-yl-3-propan-2-yloxybenzamide
CID 8779048
N-[[1-(aminomethyl)cyclopentyl]methyl]-3-propan-2-yloxybenzamide
CID 115365539
N-(3-amino-2-methylpropyl)-3-propoxybenzamide;hydrochloride
CID 119997780
2-(aminomethyl)-1-(3-propan-2-yloxyphenyl)pentan-1-one
CID 116574589
N-(4-amino-2-methylbutyl)-4-hydroxybenzamide
CID 66089978
N-(4-amino-2-methylbutyl)-2-(3-methoxyphenyl)acetamide
CID 66090213
2-[[2-[(3-propan-2-yloxybenzoyl)amino]acetyl]amino]acetic acid
CID 62919115

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-2-methylbutyl)-3-propan-2-yloxybenzamide?
The IUPAC name of N-(4-amino-2-methylbutyl)-3-propan-2-yloxybenzamide (CID 66090435) is N-(4-amino-2-methylbutyl)-3-propan-2-yloxybenzamide.
What is the SMILES notation for N-(4-amino-2-methylbutyl)-3-propan-2-yloxybenzamide?
The canonical SMILES for N-(4-amino-2-methylbutyl)-3-propan-2-yloxybenzamide is CC(CCN)CNC(=O)c1cccc(OC(C)C)c1.
What is the InChIKey of N-(4-amino-2-methylbutyl)-3-propan-2-yloxybenzamide?
The InChIKey is KPPJUOIQROCNBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-11(2)19-14-6-4-5-13(9-14)15(18)17-10-12(3)7-8-16/h4-6,9,11-12H,7-8,10,16H2,1-3H3,(H,17,18).
What are the key properties of N-(4-amino-2-methylbutyl)-3-propan-2-yloxybenzamide?
N-(4-amino-2-methylbutyl)-3-propan-2-yloxybenzamide has a molecular weight of 264.37 g/mol, XLogP of 2.19, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-2-methylbutyl)-3-propan-2-yloxybenzamide is sourced from PubChem (CID 66090435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).