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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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).