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

C15H24N2O2 — CID 28767782

IUPACN-(3-aminopropyl)-N-(3-methoxyphenyl)-3-methylbutanamide
SMILESCOc1cccc(N(CCCN)C(=O)CC(C)C)c1
InChIInChI=1S/C15H24N2O2/c1-12(2)10-15(18)17(9-5-8-16)13-6-4-7-14(11-13)19-3/h4,6-7,11-12H,5,8-10,16H2,1-3H3
InChIKeyQNVWFTGQYDILFU-UHFFFAOYSA-N
MW264.37 g/mol
LogP2.42
Rot. Bonds7

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

N-(3-aminopropyl)-N-(3-methoxyphenyl)-3-methylbutanamide (PubChem CID 28767782) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is N-(3-aminopropyl)-N-(3-methoxyphenyl)-3-methylbutanamide.

Molecular Properties

Compound NameN-(3-aminopropyl)-N-(3-methoxyphenyl)-3-methylbutanamide
PubChem CID28767782
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC NameN-(3-aminopropyl)-N-(3-methoxyphenyl)-3-methylbutanamide
SMILESCOc1cccc(N(CCCN)C(=O)CC(C)C)c1
InChIInChI=1S/C15H24N2O2/c1-12(2)10-15(18)17(9-5-8-16)13-6-4-7-14(11-13)19-3/h4,6-7,11-12H,5,8-10,16H2,1-3H3
InChIKeyQNVWFTGQYDILFU-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

methyl N-(3-aminopropyl)-N-(3-methoxyphenyl)carbamate
CID 43136235
N'-(3-methoxyphenyl)-N'-propan-2-ylpropane-1,3-diamine
CID 43136389
N-(3-aminopropyl)-N-(3-methoxyphenyl)oxolane-3-carboxamide
CID 61271974
N-(3-aminopropyl)-3-methyl-N-(2-methylphenyl)butanamide
CID 28766792
1-(2-hydroxyethyl)-1-(3-methoxyphenyl)urea
CID 91413546
N-(3-aminopropyl)-2-[(3-methoxyphenyl)methyl-methylamino]-N-methylacetamide
CID 61420595
N-(3-aminopropyl)-2-ethoxy-N-(3-methylphenyl)acetamide
CID 43135951
N'-(3-methoxyphenyl)-N'-(3-methylsulfonylpropyl)propane-1,3-diamine
CID 63190455
2-[N-(3-aminopropyl)-3-methoxyanilino]-1-pyrrolidin-1-ylethanone
CID 43136387
1-[3-aminopropyl(tert-butylsulfamoyl)amino]-3-methoxybenzene
CID 114803421
2-(N-acetyl-3-methoxyanilino)-N-butyl-N-methylacetamide
CID 113173373
N-(3-aminopropyl)-2-phenoxy-N-phenylacetamide
CID 28766720

Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)-N-(3-methoxyphenyl)-3-methylbutanamide?
The IUPAC name of N-(3-aminopropyl)-N-(3-methoxyphenyl)-3-methylbutanamide (CID 28767782) is N-(3-aminopropyl)-N-(3-methoxyphenyl)-3-methylbutanamide.
What is the SMILES notation for N-(3-aminopropyl)-N-(3-methoxyphenyl)-3-methylbutanamide?
The canonical SMILES for N-(3-aminopropyl)-N-(3-methoxyphenyl)-3-methylbutanamide is COc1cccc(N(CCCN)C(=O)CC(C)C)c1.
What is the InChIKey of N-(3-aminopropyl)-N-(3-methoxyphenyl)-3-methylbutanamide?
The InChIKey is QNVWFTGQYDILFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-12(2)10-15(18)17(9-5-8-16)13-6-4-7-14(11-13)19-3/h4,6-7,11-12H,5,8-10,16H2,1-3H3.
What are the key properties of N-(3-aminopropyl)-N-(3-methoxyphenyl)-3-methylbutanamide?
N-(3-aminopropyl)-N-(3-methoxyphenyl)-3-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-(3-methoxyphenyl)-3-methylbutanamide is sourced from PubChem (CID 28767782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).