3-[acetyl(cyclopropyl)amino]-N-(4-tert-butylphenyl)propanamide

C18H26N2O2 — CID 113115426

IUPAC3-[acetyl(cyclopropyl)amino]-N-(4-tert-butylphenyl)propanamide
SMILESCC(=O)N(CCC(=O)Nc1ccc(C(C)(C)C)cc1)C1CC1
InChIInChI=1S/C18H26N2O2/c1-13(21)20(16-9-10-16)12-11-17(22)19-15-7-5-14(6-8-15)18(2,3)4/h5-8,16H,9-12H2,1-4H3,(H,19,22)
InChIKeyHRGXGJOUGSHJAG-UHFFFAOYSA-N
MW302.42 g/mol
LogP3.32
Rot. Bonds5

About 3-[acetyl(cyclopropyl)amino]-N-(4-tert-butylphenyl)propanamide

3-[acetyl(cyclopropyl)amino]-N-(4-tert-butylphenyl)propanamide (PubChem CID 113115426) has the molecular formula C18H26N2O2 and a molecular weight of 302.42 g/mol. Its IUPAC name is 3-[acetyl(cyclopropyl)amino]-N-(4-tert-butylphenyl)propanamide.

Molecular Properties

Compound Name3-[acetyl(cyclopropyl)amino]-N-(4-tert-butylphenyl)propanamide
PubChem CID113115426
Molecular FormulaC18H26N2O2
Molecular Weight302.42 g/mol
Exact Mass302.20
IUPAC Name3-[acetyl(cyclopropyl)amino]-N-(4-tert-butylphenyl)propanamide
SMILESCC(=O)N(CCC(=O)Nc1ccc(C(C)(C)C)cc1)C1CC1
InChIInChI=1S/C18H26N2O2/c1-13(21)20(16-9-10-16)12-11-17(22)19-15-7-5-14(6-8-15)18(2,3)4/h5-8,16H,9-12H2,1-4H3,(H,19,22)
InChIKeyHRGXGJOUGSHJAG-UHFFFAOYSA-N
XLogP3.32
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-acetamidophenyl)-3-[acetyl(cyclopropyl)amino]propanamide
CID 113115459
3-[acetyl(cyclohexyl)amino]-N-(4-propan-2-ylphenyl)propanamide
CID 113116612
3-[acetyl(cyclopropyl)amino]-N-(3-chloro-4-methylphenyl)propanamide
CID 113115435
3-[acetyl(cyclohexyl)amino]-N-(4-cyanophenyl)propanamide
CID 113116695
3-[acetyl(cyclopropyl)amino]-N-(4-phenylmethoxyphenyl)propanamide
CID 113115474
3-[acetyl(cyclohexyl)amino]-N-(4-propan-2-yloxyphenyl)propanamide
CID 113116640
N'-(4-tert-butylphenyl)-N-cyclopropylpropanediamide
CID 108941074
3-(N-acetyl-2-tert-butylanilino)-N-(4-tert-butylphenyl)propanamide
CID 113126454
4-(4-tert-butylanilino)-4-oxobutanoic acid
CID 670635
ethyl 4-[acetyl-[3-(4-ethylanilino)-3-oxopropyl]amino]piperidine-1-carboxylate
CID 113122175
3-[acetyl(cyclopentyl)amino]-N-(3-chloro-4-methylphenyl)propanamide
CID 113116428
3-(N-acetyl-2,5-dimethylanilino)-N-(4-tert-butylphenyl)propanamide
CID 113124393

Frequently Asked Questions

What is the IUPAC name of 3-[acetyl(cyclopropyl)amino]-N-(4-tert-butylphenyl)propanamide?
The IUPAC name of 3-[acetyl(cyclopropyl)amino]-N-(4-tert-butylphenyl)propanamide (CID 113115426) is 3-[acetyl(cyclopropyl)amino]-N-(4-tert-butylphenyl)propanamide.
What is the SMILES notation for 3-[acetyl(cyclopropyl)amino]-N-(4-tert-butylphenyl)propanamide?
The canonical SMILES for 3-[acetyl(cyclopropyl)amino]-N-(4-tert-butylphenyl)propanamide is CC(=O)N(CCC(=O)Nc1ccc(C(C)(C)C)cc1)C1CC1.
What is the InChIKey of 3-[acetyl(cyclopropyl)amino]-N-(4-tert-butylphenyl)propanamide?
The InChIKey is HRGXGJOUGSHJAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O2/c1-13(21)20(16-9-10-16)12-11-17(22)19-15-7-5-14(6-8-15)18(2,3)4/h5-8,16H,9-12H2,1-4H3,(H,19,22).
What are the key properties of 3-[acetyl(cyclopropyl)amino]-N-(4-tert-butylphenyl)propanamide?
3-[acetyl(cyclopropyl)amino]-N-(4-tert-butylphenyl)propanamide has a molecular weight of 302.42 g/mol, XLogP of 3.32, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[acetyl(cyclopropyl)amino]-N-(4-tert-butylphenyl)propanamide is sourced from PubChem (CID 113115426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).