3-(N-acetyl-4-tert-butylanilino)-N-(2-methylpropyl)propanamide

C19H30N2O2 — CID 113126503

IUPAC3-(N-acetyl-4-tert-butylanilino)-N-(2-methylpropyl)propanamide
SMILESCC(=O)N(CCC(=O)NCC(C)C)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C19H30N2O2/c1-14(2)13-20-18(23)11-12-21(15(3)22)17-9-7-16(8-10-17)19(4,5)6/h7-10,14H,11-13H2,1-6H3,(H,20,23)
InChIKeyJOYSPQCEQRHRLZ-UHFFFAOYSA-N
MW318.46 g/mol
LogP3.50
Rot. Bonds6

About 3-(N-acetyl-4-tert-butylanilino)-N-(2-methylpropyl)propanamide

3-(N-acetyl-4-tert-butylanilino)-N-(2-methylpropyl)propanamide (PubChem CID 113126503) has the molecular formula C19H30N2O2 and a molecular weight of 318.46 g/mol. Its IUPAC name is 3-(N-acetyl-4-tert-butylanilino)-N-(2-methylpropyl)propanamide.

Molecular Properties

Compound Name3-(N-acetyl-4-tert-butylanilino)-N-(2-methylpropyl)propanamide
PubChem CID113126503
Molecular FormulaC19H30N2O2
Molecular Weight318.46 g/mol
Exact Mass318.23
IUPAC Name3-(N-acetyl-4-tert-butylanilino)-N-(2-methylpropyl)propanamide
SMILESCC(=O)N(CCC(=O)NCC(C)C)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C19H30N2O2/c1-14(2)13-20-18(23)11-12-21(15(3)22)17-9-7-16(8-10-17)19(4,5)6/h7-10,14H,11-13H2,1-6H3,(H,20,23)
InChIKeyJOYSPQCEQRHRLZ-UHFFFAOYSA-N
XLogP3.50
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.46
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(N-acetyl-4-tert-butylanilino)-N-(2-methylpropyl)acetamide
CID 113170550
3-(N-acetylanilino)-N-(2-methylpropyl)propanamide
CID 113123336
3-(N-acetyl-3,4-dimethylanilino)-N-(2-methylpropyl)propanamide
CID 113124465
3-(N-acetyl-3,5-dichloroanilino)-N-(2-methylpropyl)propanamide
CID 113134052
3-(N-acetyl-3-chloro-4-methoxyanilino)-N-(2-methylpropyl)propanamide
CID 113128357
3-(N-acetyl-3-methoxyanilino)-N-(2-methylpropyl)propanamide
CID 113128873
3-[N-acetyl-4-(trifluoromethyl)anilino]-N-propan-2-ylpropanamide
CID 113130512
3-(N-acetyl-4-tert-butylanilino)-N-(oxolan-2-ylmethyl)propanamide
CID 113126514
3-[N-acetyl-4-(trifluoromethyl)anilino]-N-prop-2-enylpropanamide
CID 113130514
3-(4-acetamido-N-acetylanilino)-N-(3-methylbutyl)propanamide
CID 113131124
N-[2-(N-acetyl-4-tert-butylanilino)ethyl]-2-phenylacetamide
CID 113059109
3-(N-acetyl-4-tert-butylanilino)-N-(1,1-dioxothiolan-3-yl)propanamide
CID 113126548

Frequently Asked Questions

What is the IUPAC name of 3-(N-acetyl-4-tert-butylanilino)-N-(2-methylpropyl)propanamide?
The IUPAC name of 3-(N-acetyl-4-tert-butylanilino)-N-(2-methylpropyl)propanamide (CID 113126503) is 3-(N-acetyl-4-tert-butylanilino)-N-(2-methylpropyl)propanamide.
What is the SMILES notation for 3-(N-acetyl-4-tert-butylanilino)-N-(2-methylpropyl)propanamide?
The canonical SMILES for 3-(N-acetyl-4-tert-butylanilino)-N-(2-methylpropyl)propanamide is CC(=O)N(CCC(=O)NCC(C)C)c1ccc(C(C)(C)C)cc1.
What is the InChIKey of 3-(N-acetyl-4-tert-butylanilino)-N-(2-methylpropyl)propanamide?
The InChIKey is JOYSPQCEQRHRLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O2/c1-14(2)13-20-18(23)11-12-21(15(3)22)17-9-7-16(8-10-17)19(4,5)6/h7-10,14H,11-13H2,1-6H3,(H,20,23).
What are the key properties of 3-(N-acetyl-4-tert-butylanilino)-N-(2-methylpropyl)propanamide?
3-(N-acetyl-4-tert-butylanilino)-N-(2-methylpropyl)propanamide has a molecular weight of 318.46 g/mol, XLogP of 3.50, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(N-acetyl-4-tert-butylanilino)-N-(2-methylpropyl)propanamide is sourced from PubChem (CID 113126503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).