2-[N-(3-aminopropyl)-2-methylanilino]-N-(3-methylbutyl)acetamide

C17H29N3O — CID 61486808

IUPAC2-[N-(3-aminopropyl)-2-methylanilino]-N-(3-methylbutyl)acetamide
SMILESCc1ccccc1N(CCCN)CC(=O)NCCC(C)C
InChIInChI=1S/C17H29N3O/c1-14(2)9-11-19-17(21)13-20(12-6-10-18)16-8-5-4-7-15(16)3/h4-5,7-8,14H,6,9-13,18H2,1-3H3,(H,19,21)
InChIKeyBKBATMATPNTYEJ-UHFFFAOYSA-N
MW291.44 g/mol
LogP2.31
Rot. Bonds9

About 2-[N-(3-aminopropyl)-2-methylanilino]-N-(3-methylbutyl)acetamide

2-[N-(3-aminopropyl)-2-methylanilino]-N-(3-methylbutyl)acetamide (PubChem CID 61486808) has the molecular formula C17H29N3O and a molecular weight of 291.44 g/mol. Its IUPAC name is 2-[N-(3-aminopropyl)-2-methylanilino]-N-(3-methylbutyl)acetamide.

Molecular Properties

Compound Name2-[N-(3-aminopropyl)-2-methylanilino]-N-(3-methylbutyl)acetamide
PubChem CID61486808
Molecular FormulaC17H29N3O
Molecular Weight291.44 g/mol
Exact Mass291.23
IUPAC Name2-[N-(3-aminopropyl)-2-methylanilino]-N-(3-methylbutyl)acetamide
SMILESCc1ccccc1N(CCCN)CC(=O)NCCC(C)C
InChIInChI=1S/C17H29N3O/c1-14(2)9-11-19-17(21)13-20(12-6-10-18)16-8-5-4-7-15(16)3/h4-5,7-8,14H,6,9-13,18H2,1-3H3,(H,19,21)
InChIKeyBKBATMATPNTYEJ-UHFFFAOYSA-N
XLogP2.31
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-aminopropyl)-3-methyl-N-(2-methylphenyl)butanamide
CID 28766792
2-(N-acetyl-2-ethylanilino)-N-(3-methylbutyl)acetamide
CID 113169089
1-(3-aminopropyl)-3-ethyl-1-(2-methylphenyl)urea
CID 43164862
1-(3-aminopropyl)-3-butyl-1-(2-methylphenyl)urea
CID 43318701
2-(N-benzylanilino)-N-(3-methylbutyl)acetamide
CID 109005918
2-[[2-(2,6-dimethylanilino)-2-oxoethyl]-methylamino]-N-(3-methylbutyl)acetamide
CID 9222192
2-(N-acetyl-2-bromoanilino)-N-(3-methylbutyl)acetamide
CID 113177811
2-[(2-aminophenyl)methyl-methylamino]-N-(3-methylbutyl)acetamide
CID 61486734
N-(3-aminopropyl)-N-(2-methylphenyl)benzamide
CID 28766808
2-[N-(3-aminopropyl)-2-methylanilino]-N,N-dimethylpropanamide
CID 43318826
2-(2-amino-N-propylanilino)-N-butylacetamide
CID 63230533
3-amino-N-[2-(N-ethyl-2-methylanilino)ethyl]-2-methylbutanamide;dihydrochloride
CID 120503065

Frequently Asked Questions

What is the IUPAC name of 2-[N-(3-aminopropyl)-2-methylanilino]-N-(3-methylbutyl)acetamide?
The IUPAC name of 2-[N-(3-aminopropyl)-2-methylanilino]-N-(3-methylbutyl)acetamide (CID 61486808) is 2-[N-(3-aminopropyl)-2-methylanilino]-N-(3-methylbutyl)acetamide.
What is the SMILES notation for 2-[N-(3-aminopropyl)-2-methylanilino]-N-(3-methylbutyl)acetamide?
The canonical SMILES for 2-[N-(3-aminopropyl)-2-methylanilino]-N-(3-methylbutyl)acetamide is Cc1ccccc1N(CCCN)CC(=O)NCCC(C)C.
What is the InChIKey of 2-[N-(3-aminopropyl)-2-methylanilino]-N-(3-methylbutyl)acetamide?
The InChIKey is BKBATMATPNTYEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3O/c1-14(2)9-11-19-17(21)13-20(12-6-10-18)16-8-5-4-7-15(16)3/h4-5,7-8,14H,6,9-13,18H2,1-3H3,(H,19,21).
What are the key properties of 2-[N-(3-aminopropyl)-2-methylanilino]-N-(3-methylbutyl)acetamide?
2-[N-(3-aminopropyl)-2-methylanilino]-N-(3-methylbutyl)acetamide has a molecular weight of 291.44 g/mol, XLogP of 2.31, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[N-(3-aminopropyl)-2-methylanilino]-N-(3-methylbutyl)acetamide is sourced from PubChem (CID 61486808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).