3-(N-acetyl-2-propan-2-ylanilino)-N-(3-methylbutyl)propanamide

C19H30N2O2 — CID 113125720

IUPAC3-(N-acetyl-2-propan-2-ylanilino)-N-(3-methylbutyl)propanamide
SMILESCC(=O)N(CCC(=O)NCCC(C)C)c1ccccc1C(C)C
InChIInChI=1S/C19H30N2O2/c1-14(2)10-12-20-19(23)11-13-21(16(5)22)18-9-7-6-8-17(18)15(3)4/h6-9,14-15H,10-13H2,1-5H3,(H,20,23)
InChIKeyIPFYIAXCJPBUTK-UHFFFAOYSA-N
MW318.46 g/mol
LogP3.72
Rot. Bonds8

About 3-(N-acetyl-2-propan-2-ylanilino)-N-(3-methylbutyl)propanamide

3-(N-acetyl-2-propan-2-ylanilino)-N-(3-methylbutyl)propanamide (PubChem CID 113125720) has the molecular formula C19H30N2O2 and a molecular weight of 318.46 g/mol. Its IUPAC name is 3-(N-acetyl-2-propan-2-ylanilino)-N-(3-methylbutyl)propanamide.

Molecular Properties

Compound Name3-(N-acetyl-2-propan-2-ylanilino)-N-(3-methylbutyl)propanamide
PubChem CID113125720
Molecular FormulaC19H30N2O2
Molecular Weight318.46 g/mol
Exact Mass318.23
IUPAC Name3-(N-acetyl-2-propan-2-ylanilino)-N-(3-methylbutyl)propanamide
SMILESCC(=O)N(CCC(=O)NCCC(C)C)c1ccccc1C(C)C
InChIInChI=1S/C19H30N2O2/c1-14(2)10-12-20-19(23)11-13-21(16(5)22)18-9-7-6-8-17(18)15(3)4/h6-9,14-15H,10-13H2,1-5H3,(H,20,23)
InChIKeyIPFYIAXCJPBUTK-UHFFFAOYSA-N
XLogP3.72
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.46
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(N-acetyl-2-propan-2-yloxyanilino)-N-(3-methylbutyl)propanamide
CID 113129740
3-(N-acetyl-2-propan-2-ylanilino)-N-(1,3-benzodioxol-5-ylmethyl)propanamide
CID 113125690
3-(4-acetamido-N-acetylanilino)-N-(3-methylbutyl)propanamide
CID 113131124
N-[2-(N-acetyl-2-propan-2-ylanilino)ethyl]-2-(4-methoxyphenyl)acetamide
CID 113058617
2-(N-acetyl-2-ethylanilino)-N-(3-methylbutyl)acetamide
CID 113169089
3-(N-acetyl-2-methyl-6-propan-2-ylanilino)-N-[2-(dimethylamino)ethyl]propanamide
CID 113126259
2-(N-acetyl-2-bromoanilino)-N-(3-methylbutyl)acetamide
CID 113177811
3-(N-acetyl-4-propan-2-yloxyanilino)-N-(3-methylbutyl)propanamide
CID 113129869
N-(3-methylbutyl)-3-[N-methylsulfonyl-2,6-di(propan-2-yl)anilino]propanamide
CID 113146233
methyl 3-[acetyl-[3-(3-methylbutylamino)-3-oxopropyl]amino]-4-chlorobenzoate
CID 113131614
3-[N-acetyl-2-chloro-5-(trifluoromethyl)anilino]-N-(3-methylbutyl)propanamide
CID 113131659
2-(N-acetyl-2-propan-2-ylanilino)-N-(3-phenylpropyl)acetamide
CID 113169640

Frequently Asked Questions

What is the IUPAC name of 3-(N-acetyl-2-propan-2-ylanilino)-N-(3-methylbutyl)propanamide?
The IUPAC name of 3-(N-acetyl-2-propan-2-ylanilino)-N-(3-methylbutyl)propanamide (CID 113125720) is 3-(N-acetyl-2-propan-2-ylanilino)-N-(3-methylbutyl)propanamide.
What is the SMILES notation for 3-(N-acetyl-2-propan-2-ylanilino)-N-(3-methylbutyl)propanamide?
The canonical SMILES for 3-(N-acetyl-2-propan-2-ylanilino)-N-(3-methylbutyl)propanamide is CC(=O)N(CCC(=O)NCCC(C)C)c1ccccc1C(C)C.
What is the InChIKey of 3-(N-acetyl-2-propan-2-ylanilino)-N-(3-methylbutyl)propanamide?
The InChIKey is IPFYIAXCJPBUTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O2/c1-14(2)10-12-20-19(23)11-13-21(16(5)22)18-9-7-6-8-17(18)15(3)4/h6-9,14-15H,10-13H2,1-5H3,(H,20,23).
What are the key properties of 3-(N-acetyl-2-propan-2-ylanilino)-N-(3-methylbutyl)propanamide?
3-(N-acetyl-2-propan-2-ylanilino)-N-(3-methylbutyl)propanamide has a molecular weight of 318.46 g/mol, XLogP of 3.72, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(N-acetyl-2-propan-2-ylanilino)-N-(3-methylbutyl)propanamide is sourced from PubChem (CID 113125720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).