2-methyl-N-[4-methyl-3-[[2-oxo-2-(pentan-3-ylamino)ethyl]amino]phenyl]propanamide

C18H29N3O2 — CID 47063867

IUPAC2-methyl-N-[4-methyl-3-[[2-oxo-2-(pentan-3-ylamino)ethyl]amino]phenyl]propanamide
SMILESCCC(CC)NC(=O)CNc1cc(NC(=O)C(C)C)ccc1C
InChIInChI=1S/C18H29N3O2/c1-6-14(7-2)20-17(22)11-19-16-10-15(9-8-13(16)5)21-18(23)12(3)4/h8-10,12,14,19H,6-7,11H2,1-5H3,(H,20,22)(H,21,23)
InChIKeyALXJFLKDMMXIED-UHFFFAOYSA-N
MW319.45 g/mol
LogP3.31
Rot. Bonds8

About 2-methyl-N-[4-methyl-3-[[2-oxo-2-(pentan-3-ylamino)ethyl]amino]phenyl]propanamide

2-methyl-N-[4-methyl-3-[[2-oxo-2-(pentan-3-ylamino)ethyl]amino]phenyl]propanamide (PubChem CID 47063867) has the molecular formula C18H29N3O2 and a molecular weight of 319.45 g/mol. Its IUPAC name is 2-methyl-N-[4-methyl-3-[[2-oxo-2-(pentan-3-ylamino)ethyl]amino]phenyl]propanamide.

Molecular Properties

Compound Name2-methyl-N-[4-methyl-3-[[2-oxo-2-(pentan-3-ylamino)ethyl]amino]phenyl]propanamide
PubChem CID47063867
Molecular FormulaC18H29N3O2
Molecular Weight319.45 g/mol
Exact Mass319.23
IUPAC Name2-methyl-N-[4-methyl-3-[[2-oxo-2-(pentan-3-ylamino)ethyl]amino]phenyl]propanamide
SMILESCCC(CC)NC(=O)CNc1cc(NC(=O)C(C)C)ccc1C
InChIInChI=1S/C18H29N3O2/c1-6-14(7-2)20-17(22)11-19-16-10-15(9-8-13(16)5)21-18(23)12(3)4/h8-10,12,14,19H,6-7,11H2,1-5H3,(H,20,22)(H,21,23)
InChIKeyALXJFLKDMMXIED-UHFFFAOYSA-N
XLogP3.31
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.45
LogP ≤ 53.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-[[2-(2-fluoroanilino)-2-oxoethyl]amino]-4-methylphenyl]-2-methylpropanamide
CID 87029073
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2-methyl-N-[4-methyl-3-[[2-(4-methyl-3-nitroanilino)-2-oxoethyl]amino]phenyl]propanamide
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2-methyl-N-[4-methyl-3-(propan-2-ylcarbamoylamino)phenyl]propanamide
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CID 131943184
N-[3-(3-aminopropanoylamino)-4-methylphenyl]-2-methylpropanamide
CID 82034485
2-methyl-N-[4-methyl-3-[[2-(prop-2-enoylamino)acetyl]amino]phenyl]propanamide
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N-[3-[[2-(2-methoxyethylamino)acetyl]amino]-4-methylphenyl]-2-methylpropanamide
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N-[2-methyl-5-(2-methylpropanoylamino)phenyl]-3-(propanoylamino)benzamide
CID 55840659
N-[2-methyl-5-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]phenyl]propanamide
CID 54844965
2-methyl-3-(methylamino)-N-[2-methyl-5-(2-methylpropanoylamino)phenyl]propanamide
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2-methyl-N-[4-methyl-3-(2-phenylethylamino)phenyl]propanamide
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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[4-methyl-3-[[2-oxo-2-(pentan-3-ylamino)ethyl]amino]phenyl]propanamide?
The IUPAC name of 2-methyl-N-[4-methyl-3-[[2-oxo-2-(pentan-3-ylamino)ethyl]amino]phenyl]propanamide (CID 47063867) is 2-methyl-N-[4-methyl-3-[[2-oxo-2-(pentan-3-ylamino)ethyl]amino]phenyl]propanamide.
What is the SMILES notation for 2-methyl-N-[4-methyl-3-[[2-oxo-2-(pentan-3-ylamino)ethyl]amino]phenyl]propanamide?
The canonical SMILES for 2-methyl-N-[4-methyl-3-[[2-oxo-2-(pentan-3-ylamino)ethyl]amino]phenyl]propanamide is CCC(CC)NC(=O)CNc1cc(NC(=O)C(C)C)ccc1C.
What is the InChIKey of 2-methyl-N-[4-methyl-3-[[2-oxo-2-(pentan-3-ylamino)ethyl]amino]phenyl]propanamide?
The InChIKey is ALXJFLKDMMXIED-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3O2/c1-6-14(7-2)20-17(22)11-19-16-10-15(9-8-13(16)5)21-18(23)12(3)4/h8-10,12,14,19H,6-7,11H2,1-5H3,(H,20,22)(H,21,23).
What are the key properties of 2-methyl-N-[4-methyl-3-[[2-oxo-2-(pentan-3-ylamino)ethyl]amino]phenyl]propanamide?
2-methyl-N-[4-methyl-3-[[2-oxo-2-(pentan-3-ylamino)ethyl]amino]phenyl]propanamide has a molecular weight of 319.45 g/mol, XLogP of 3.31, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[4-methyl-3-[[2-oxo-2-(pentan-3-ylamino)ethyl]amino]phenyl]propanamide is sourced from PubChem (CID 47063867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).