N-(3-aminopropyl)-N-(2-methoxyphenyl)-2-methylbutanamide

C15H24N2O2 — CID 43136196

IUPACN-(3-aminopropyl)-N-(2-methoxyphenyl)-2-methylbutanamide
SMILESCCC(C)C(=O)N(CCCN)c1ccccc1OC
InChIInChI=1S/C15H24N2O2/c1-4-12(2)15(18)17(11-7-10-16)13-8-5-6-9-14(13)19-3/h5-6,8-9,12H,4,7,10-11,16H2,1-3H3
InChIKeyFEGWKGNKUYGDEQ-UHFFFAOYSA-N
MW264.37 g/mol
LogP2.42
Rot. Bonds7

About N-(3-aminopropyl)-N-(2-methoxyphenyl)-2-methylbutanamide

N-(3-aminopropyl)-N-(2-methoxyphenyl)-2-methylbutanamide (PubChem CID 43136196) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is N-(3-aminopropyl)-N-(2-methoxyphenyl)-2-methylbutanamide.

Molecular Properties

Compound NameN-(3-aminopropyl)-N-(2-methoxyphenyl)-2-methylbutanamide
PubChem CID43136196
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC NameN-(3-aminopropyl)-N-(2-methoxyphenyl)-2-methylbutanamide
SMILESCCC(C)C(=O)N(CCCN)c1ccccc1OC
InChIInChI=1S/C15H24N2O2/c1-4-12(2)15(18)17(11-7-10-16)13-8-5-6-9-14(13)19-3/h5-6,8-9,12H,4,7,10-11,16H2,1-3H3
InChIKeyFEGWKGNKUYGDEQ-UHFFFAOYSA-N
XLogP2.42
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-aminopropyl)-N-(2-methoxyphenyl)-2-methylpropanamide
CID 28767707
2-methylpropyl N-(3-aminopropyl)-N-(2-methoxyphenyl)carbamate
CID 43318992
1-(3-aminopropyl)-3-ethyl-1-(2-methoxyphenyl)-3-methylurea
CID 79160382
hydron;1-(2-methoxyphenyl)-1-(2-methylpropyl)urea
CID 174379543
(2R)-2-amino-N-(2-methoxyphenyl)-N,4-dimethylpentanamide
CID 104903371
N-(3-aminopropyl)-N-(2-methoxyphenyl)oxane-3-carboxamide
CID 63011480
N'-(2-methoxyphenyl)-N'-octylpropane-1,3-diamine
CID 43319172
N-(5-hydroxypentyl)-N-(2-methoxyphenyl)propanamide
CID 70548251
N-(3-aminopropyl)-2-methoxy-N-propan-2-ylbenzamide
CID 43136698
N'-(3-fluoropropyl)-N'-(2-methoxyphenyl)propane-1,3-diamine
CID 81106907
5-amino-1-(2-methoxyphenyl)-2-methylpentan-1-one
CID 116613631
5-amino-N-[1-(2-methoxyphenyl)ethyl]-N,2-dimethylpentanamide
CID 104684407

Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)-N-(2-methoxyphenyl)-2-methylbutanamide?
The IUPAC name of N-(3-aminopropyl)-N-(2-methoxyphenyl)-2-methylbutanamide (CID 43136196) is N-(3-aminopropyl)-N-(2-methoxyphenyl)-2-methylbutanamide.
What is the SMILES notation for N-(3-aminopropyl)-N-(2-methoxyphenyl)-2-methylbutanamide?
The canonical SMILES for N-(3-aminopropyl)-N-(2-methoxyphenyl)-2-methylbutanamide is CCC(C)C(=O)N(CCCN)c1ccccc1OC.
What is the InChIKey of N-(3-aminopropyl)-N-(2-methoxyphenyl)-2-methylbutanamide?
The InChIKey is FEGWKGNKUYGDEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-4-12(2)15(18)17(11-7-10-16)13-8-5-6-9-14(13)19-3/h5-6,8-9,12H,4,7,10-11,16H2,1-3H3.
What are the key properties of N-(3-aminopropyl)-N-(2-methoxyphenyl)-2-methylbutanamide?
N-(3-aminopropyl)-N-(2-methoxyphenyl)-2-methylbutanamide has a molecular weight of 264.37 g/mol, XLogP of 2.42, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminopropyl)-N-(2-methoxyphenyl)-2-methylbutanamide is sourced from PubChem (CID 43136196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).