4-tert-butyl-N-[3-oxo-3-(pentan-2-ylamino)propyl]benzamide

C19H30N2O2 — CID 18166332

IUPAC4-tert-butyl-N-[3-oxo-3-(pentan-2-ylamino)propyl]benzamide
SMILESCCCC(C)NC(=O)CCNC(=O)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C19H30N2O2/c1-6-7-14(2)21-17(22)12-13-20-18(23)15-8-10-16(11-9-15)19(3,4)5/h8-11,14H,6-7,12-13H2,1-5H3,(H,20,23)(H,21,22)
InChIKeyZQEILBAACXSXAY-UHFFFAOYSA-N
MW318.46 g/mol
LogP3.41
Rot. Bonds7

About 4-tert-butyl-N-[3-oxo-3-(pentan-2-ylamino)propyl]benzamide

4-tert-butyl-N-[3-oxo-3-(pentan-2-ylamino)propyl]benzamide (PubChem CID 18166332) has the molecular formula C19H30N2O2 and a molecular weight of 318.46 g/mol. Its IUPAC name is 4-tert-butyl-N-[3-oxo-3-(pentan-2-ylamino)propyl]benzamide.

Molecular Properties

Compound Name4-tert-butyl-N-[3-oxo-3-(pentan-2-ylamino)propyl]benzamide
PubChem CID18166332
Molecular FormulaC19H30N2O2
Molecular Weight318.46 g/mol
Exact Mass318.23
IUPAC Name4-tert-butyl-N-[3-oxo-3-(pentan-2-ylamino)propyl]benzamide
SMILESCCCC(C)NC(=O)CCNC(=O)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C19H30N2O2/c1-6-7-14(2)21-17(22)12-13-20-18(23)15-8-10-16(11-9-15)19(3,4)5/h8-11,14H,6-7,12-13H2,1-5H3,(H,20,23)(H,21,22)
InChIKeyZQEILBAACXSXAY-UHFFFAOYSA-N
XLogP3.41
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.46
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-chloro-N-[3-[[(2R)-5-methylhexan-2-yl]amino]-3-oxopropyl]benzamide
CID 26519163
N-[3-[[(1R)-1-(1-adamantyl)ethyl]amino]-3-oxopropyl]-4-tert-butylbenzamide
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4-tert-butyl-N-[(2R)-3-methyl-1-oxo-1-[[(2R)-pentan-2-yl]amino]butan-2-yl]benzamide
CID 30481179
4-tert-butyl-N-[3-[1-(2,4-difluorophenyl)ethylamino]-3-oxopropyl]benzamide
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4-tert-butyl-N-[3-[(1-hydroxy-2-methylpropan-2-yl)amino]-3-oxopropyl]benzamide
CID 110878328
4-tert-butyl-N-heptan-4-ylbenzamide
CID 138525805
N-[3-[(2-amino-2-ethylbutyl)amino]-3-oxopropyl]-4-tert-butylbenzamide
CID 119641381
4-tert-butyl-N-[3-[[(1R)-1-(5-chloro-2-pyridinyl)ethyl]amino]-3-oxopropyl]benzamide
CID 100685171
1-tert-butyl-4-methylbenzene;bis(4-tert-butyl-N-propylbenzamide)
CID 159281863
4-tert-butyl-N-nonylbenzamide
CID 4642451
N-(4-aminopentyl)-4-tert-butylbenzamide
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CID 4062495

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-[3-oxo-3-(pentan-2-ylamino)propyl]benzamide?
The IUPAC name of 4-tert-butyl-N-[3-oxo-3-(pentan-2-ylamino)propyl]benzamide (CID 18166332) is 4-tert-butyl-N-[3-oxo-3-(pentan-2-ylamino)propyl]benzamide.
What is the SMILES notation for 4-tert-butyl-N-[3-oxo-3-(pentan-2-ylamino)propyl]benzamide?
The canonical SMILES for 4-tert-butyl-N-[3-oxo-3-(pentan-2-ylamino)propyl]benzamide is CCCC(C)NC(=O)CCNC(=O)c1ccc(C(C)(C)C)cc1.
What is the InChIKey of 4-tert-butyl-N-[3-oxo-3-(pentan-2-ylamino)propyl]benzamide?
The InChIKey is ZQEILBAACXSXAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O2/c1-6-7-14(2)21-17(22)12-13-20-18(23)15-8-10-16(11-9-15)19(3,4)5/h8-11,14H,6-7,12-13H2,1-5H3,(H,20,23)(H,21,22).
What are the key properties of 4-tert-butyl-N-[3-oxo-3-(pentan-2-ylamino)propyl]benzamide?
4-tert-butyl-N-[3-oxo-3-(pentan-2-ylamino)propyl]benzamide has a molecular weight of 318.46 g/mol, XLogP of 3.41, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-[3-oxo-3-(pentan-2-ylamino)propyl]benzamide is sourced from PubChem (CID 18166332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).