N-(3-methylbutyl)-2-(2-propan-2-ylanilino)acetamide

C16H26N2O — CID 60685501

IUPACN-(3-methylbutyl)-2-(2-propan-2-ylanilino)acetamide
SMILESCC(C)CCNC(=O)CNc1ccccc1C(C)C
InChIInChI=1S/C16H26N2O/c1-12(2)9-10-17-16(19)11-18-15-8-6-5-7-14(15)13(3)4/h5-8,12-13,18H,9-11H2,1-4H3,(H,17,19)
InChIKeySYMBIZTWWJKYLK-UHFFFAOYSA-N
MW262.40 g/mol
LogP3.38
Rot. Bonds7

About N-(3-methylbutyl)-2-(2-propan-2-ylanilino)acetamide

N-(3-methylbutyl)-2-(2-propan-2-ylanilino)acetamide (PubChem CID 60685501) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is N-(3-methylbutyl)-2-(2-propan-2-ylanilino)acetamide.

Molecular Properties

Compound NameN-(3-methylbutyl)-2-(2-propan-2-ylanilino)acetamide
PubChem CID60685501
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC NameN-(3-methylbutyl)-2-(2-propan-2-ylanilino)acetamide
SMILESCC(C)CCNC(=O)CNc1ccccc1C(C)C
InChIInChI=1S/C16H26N2O/c1-12(2)9-10-17-16(19)11-18-15-8-6-5-7-14(15)13(3)4/h5-8,12-13,18H,9-11H2,1-4H3,(H,17,19)
InChIKeySYMBIZTWWJKYLK-UHFFFAOYSA-N
XLogP3.38
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-methylpropyl)-2-(2-propan-2-ylanilino)acetamide
CID 28573972
N-pentyl-2-(2-propan-2-ylanilino)acetamide
CID 109006037
N-(2-methylphenyl)-2-(2-propan-2-ylanilino)acetamide
CID 42069296
N-phenyl-2-(2-propan-2-ylanilino)acetamide
CID 7636862
N-[(2-chlorophenyl)methyl]-2-(2-propan-2-ylanilino)acetamide
CID 33161990
3-(3-methylbutylamino)-N-(2-propan-2-ylphenyl)propanamide
CID 109032020
2-(2,6-diethylanilino)-N-(3-methylbutyl)acetamide
CID 62327341
N-(phenylcarbamoyl)-2-(2-propan-2-ylanilino)acetamide
CID 41397541
N-methyl-3-(2-propan-2-ylanilino)propanamide
CID 62325491
N,N'-bis(2-propan-2-ylphenyl)ethane-1,2-diamine;hydrochloride
CID 158304754
2-[(2-hydroxy-1-phenylethyl)amino]-N-(3-methylbutyl)acetamide
CID 63183041
2-(2-propan-2-ylanilino)ethanol
CID 28574084

Frequently Asked Questions

What is the IUPAC name of N-(3-methylbutyl)-2-(2-propan-2-ylanilino)acetamide?
The IUPAC name of N-(3-methylbutyl)-2-(2-propan-2-ylanilino)acetamide (CID 60685501) is N-(3-methylbutyl)-2-(2-propan-2-ylanilino)acetamide.
What is the SMILES notation for N-(3-methylbutyl)-2-(2-propan-2-ylanilino)acetamide?
The canonical SMILES for N-(3-methylbutyl)-2-(2-propan-2-ylanilino)acetamide is CC(C)CCNC(=O)CNc1ccccc1C(C)C.
What is the InChIKey of N-(3-methylbutyl)-2-(2-propan-2-ylanilino)acetamide?
The InChIKey is SYMBIZTWWJKYLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-12(2)9-10-17-16(19)11-18-15-8-6-5-7-14(15)13(3)4/h5-8,12-13,18H,9-11H2,1-4H3,(H,17,19).
What are the key properties of N-(3-methylbutyl)-2-(2-propan-2-ylanilino)acetamide?
N-(3-methylbutyl)-2-(2-propan-2-ylanilino)acetamide has a molecular weight of 262.40 g/mol, XLogP of 3.38, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylbutyl)-2-(2-propan-2-ylanilino)acetamide is sourced from PubChem (CID 60685501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).