3-(4-acetamido-N-acetylanilino)-N-(3-methylbutyl)propanamide

C18H27N3O3 — CID 113131124

IUPAC3-(4-acetamido-N-acetylanilino)-N-(3-methylbutyl)propanamide
SMILESCC(=O)Nc1ccc(N(CCC(=O)NCCC(C)C)C(C)=O)cc1
InChIInChI=1S/C18H27N3O3/c1-13(2)9-11-19-18(24)10-12-21(15(4)23)17-7-5-16(6-8-17)20-14(3)22/h5-8,13H,9-12H2,1-4H3,(H,19,24)(H,20,22)
InChIKeySTVLCRYSIPKYEX-UHFFFAOYSA-N
MW333.43 g/mol
LogP2.55
Rot. Bonds8

About 3-(4-acetamido-N-acetylanilino)-N-(3-methylbutyl)propanamide

3-(4-acetamido-N-acetylanilino)-N-(3-methylbutyl)propanamide (PubChem CID 113131124) has the molecular formula C18H27N3O3 and a molecular weight of 333.43 g/mol. Its IUPAC name is 3-(4-acetamido-N-acetylanilino)-N-(3-methylbutyl)propanamide.

Molecular Properties

Compound Name3-(4-acetamido-N-acetylanilino)-N-(3-methylbutyl)propanamide
PubChem CID113131124
Molecular FormulaC18H27N3O3
Molecular Weight333.43 g/mol
Exact Mass333.21
IUPAC Name3-(4-acetamido-N-acetylanilino)-N-(3-methylbutyl)propanamide
SMILESCC(=O)Nc1ccc(N(CCC(=O)NCCC(C)C)C(C)=O)cc1
InChIInChI=1S/C18H27N3O3/c1-13(2)9-11-19-18(24)10-12-21(15(4)23)17-7-5-16(6-8-17)20-14(3)22/h5-8,13H,9-12H2,1-4H3,(H,19,24)(H,20,22)
InChIKeySTVLCRYSIPKYEX-UHFFFAOYSA-N
XLogP2.55
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.43
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(N-acetyl-4-propan-2-yloxyanilino)-N-(3-methylbutyl)propanamide
CID 113129869
3-(N-acetyl-3-chloro-4-methylanilino)-N-(3-methylbutyl)propanamide
CID 113128018
3-(4-acetamido-N-acetylanilino)-N-cyclopropylpropanamide
CID 113131068
3-(N-acetyl-2-propan-2-ylanilino)-N-(3-methylbutyl)propanamide
CID 113125720
3-(4-acetamido-N-acetylanilino)-N-[(2-fluorophenyl)methyl]propanamide
CID 113131097
3-(4-acetamido-N-acetylanilino)-N-[2-(3-methoxyphenyl)ethyl]propanamide
CID 113131113
N-[2-(4-acetamido-N-acetylanilino)ethyl]-2-phenylacetamide
CID 113061825
3-(4-acetamido-N-acetylanilino)-N-(2,5-dimethylphenyl)propanamide
CID 113131139
3-(N-acetylanilino)-N-(2-methylpropyl)propanamide
CID 113123336
3-(N-acetyl-4-tert-butylanilino)-N-(2-methylpropyl)propanamide
CID 113126503
N-[2-(4-acetamido-N-acetylanilino)ethyl]-2-(4-chlorophenyl)acetamide
CID 113061827
3-(N-acetyl-2-propan-2-yloxyanilino)-N-(3-methylbutyl)propanamide
CID 113129740

Frequently Asked Questions

What is the IUPAC name of 3-(4-acetamido-N-acetylanilino)-N-(3-methylbutyl)propanamide?
The IUPAC name of 3-(4-acetamido-N-acetylanilino)-N-(3-methylbutyl)propanamide (CID 113131124) is 3-(4-acetamido-N-acetylanilino)-N-(3-methylbutyl)propanamide.
What is the SMILES notation for 3-(4-acetamido-N-acetylanilino)-N-(3-methylbutyl)propanamide?
The canonical SMILES for 3-(4-acetamido-N-acetylanilino)-N-(3-methylbutyl)propanamide is CC(=O)Nc1ccc(N(CCC(=O)NCCC(C)C)C(C)=O)cc1.
What is the InChIKey of 3-(4-acetamido-N-acetylanilino)-N-(3-methylbutyl)propanamide?
The InChIKey is STVLCRYSIPKYEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O3/c1-13(2)9-11-19-18(24)10-12-21(15(4)23)17-7-5-16(6-8-17)20-14(3)22/h5-8,13H,9-12H2,1-4H3,(H,19,24)(H,20,22).
What are the key properties of 3-(4-acetamido-N-acetylanilino)-N-(3-methylbutyl)propanamide?
3-(4-acetamido-N-acetylanilino)-N-(3-methylbutyl)propanamide has a molecular weight of 333.43 g/mol, XLogP of 2.55, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-acetamido-N-acetylanilino)-N-(3-methylbutyl)propanamide is sourced from PubChem (CID 113131124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).