2-methyl-N-[2-[3-[2-(propan-2-ylcarbamoylamino)propan-2-yl]phenyl]propan-2-yl]propanamide

C20H33N3O2 — CID 129087089

IUPAC2-methyl-N-[2-[3-[2-(propan-2-ylcarbamoylamino)propan-2-yl]phenyl]propan-2-yl]propanamide
SMILESCC(C)NC(=O)NC(C)(C)c1cccc(C(C)(C)NC(=O)C(C)C)c1
InChIInChI=1S/C20H33N3O2/c1-13(2)17(24)22-19(5,6)15-10-9-11-16(12-15)20(7,8)23-18(25)21-14(3)4/h9-14H,1-8H3,(H,22,24)(H2,21,23,25)
InChIKeySZVYHWLHLNIMKR-UHFFFAOYSA-N
MW347.50 g/mol
LogP3.64
Rot. Bonds6

About 2-methyl-N-[2-[3-[2-(propan-2-ylcarbamoylamino)propan-2-yl]phenyl]propan-2-yl]propanamide

2-methyl-N-[2-[3-[2-(propan-2-ylcarbamoylamino)propan-2-yl]phenyl]propan-2-yl]propanamide (PubChem CID 129087089) has the molecular formula C20H33N3O2 and a molecular weight of 347.50 g/mol. Its IUPAC name is 2-methyl-N-[2-[3-[2-(propan-2-ylcarbamoylamino)propan-2-yl]phenyl]propan-2-yl]propanamide.

Molecular Properties

Compound Name2-methyl-N-[2-[3-[2-(propan-2-ylcarbamoylamino)propan-2-yl]phenyl]propan-2-yl]propanamide
PubChem CID129087089
Molecular FormulaC20H33N3O2
Molecular Weight347.50 g/mol
Exact Mass347.26
IUPAC Name2-methyl-N-[2-[3-[2-(propan-2-ylcarbamoylamino)propan-2-yl]phenyl]propan-2-yl]propanamide
SMILESCC(C)NC(=O)NC(C)(C)c1cccc(C(C)(C)NC(=O)C(C)C)c1
InChIInChI=1S/C20H33N3O2/c1-13(2)17(24)22-19(5,6)15-10-9-11-16(12-15)20(7,8)23-18(25)21-14(3)4/h9-14H,1-8H3,(H,22,24)(H2,21,23,25)
InChIKeySZVYHWLHLNIMKR-UHFFFAOYSA-N
XLogP3.64
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.50
LogP ≤ 53.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(3-fluorophenyl)propan-2-yl]-2-methylpropanamide
CID 110470332
2-(2-phenylpropan-2-ylcarbamoylamino)propanoic acid
CID 110490509
N-[2-(3,5-dichlorophenyl)propan-2-yl]-2-methylpropanamide
CID 110478525
(2S)-2-amino-N-[2-(3-fluorophenyl)propan-2-yl]propanamide
CID 119330298
3-methyl-2-(2-phenylpropan-2-ylcarbamoylamino)butanoic acid
CID 110490526
1-[4-[(2S)-butan-2-yl]phenyl]-3-[2-[3-[2-[[4-[(2R)-butan-2-yl]phenyl]carbamoylamino]propan-2-yl]phenyl]propan-2-yl]urea
CID 27235829
1-[(1S,2S)-2-hydroxycyclohexyl]-3-[2-[3-[2-[[(1R,2S)-2-hydroxycyclohexyl]carbamoylamino]propan-2-yl]phenyl]propan-2-yl]urea
CID 26791318
N-[2-(3-chlorophenyl)propan-2-yl]-2-hydroxy-3-(2-methoxyanilino)butanamide
CID 134349936
1-(2,3-dihydro-1H-inden-5-yl)-3-[2-[3-[2-(2,3-dihydro-1H-inden-5-ylcarbamoylamino)propan-2-yl]phenyl]propan-2-yl]urea
CID 27060599
1-(4-chlorophenyl)-3-[2-(3-chlorophenyl)propan-2-yl]urea
CID 110446838
(2S)-2-hydroxy-3-methyl-N-(2-phenylpropan-2-yl)butanamide
CID 131853955
1-[2-(3-ethylphenyl)propan-2-yl]-3-methylurea
CID 129101422

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[2-[3-[2-(propan-2-ylcarbamoylamino)propan-2-yl]phenyl]propan-2-yl]propanamide?
The IUPAC name of 2-methyl-N-[2-[3-[2-(propan-2-ylcarbamoylamino)propan-2-yl]phenyl]propan-2-yl]propanamide (CID 129087089) is 2-methyl-N-[2-[3-[2-(propan-2-ylcarbamoylamino)propan-2-yl]phenyl]propan-2-yl]propanamide.
What is the SMILES notation for 2-methyl-N-[2-[3-[2-(propan-2-ylcarbamoylamino)propan-2-yl]phenyl]propan-2-yl]propanamide?
The canonical SMILES for 2-methyl-N-[2-[3-[2-(propan-2-ylcarbamoylamino)propan-2-yl]phenyl]propan-2-yl]propanamide is CC(C)NC(=O)NC(C)(C)c1cccc(C(C)(C)NC(=O)C(C)C)c1.
What is the InChIKey of 2-methyl-N-[2-[3-[2-(propan-2-ylcarbamoylamino)propan-2-yl]phenyl]propan-2-yl]propanamide?
The InChIKey is SZVYHWLHLNIMKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33N3O2/c1-13(2)17(24)22-19(5,6)15-10-9-11-16(12-15)20(7,8)23-18(25)21-14(3)4/h9-14H,1-8H3,(H,22,24)(H2,21,23,25).
What are the key properties of 2-methyl-N-[2-[3-[2-(propan-2-ylcarbamoylamino)propan-2-yl]phenyl]propan-2-yl]propanamide?
2-methyl-N-[2-[3-[2-(propan-2-ylcarbamoylamino)propan-2-yl]phenyl]propan-2-yl]propanamide has a molecular weight of 347.50 g/mol, XLogP of 3.64, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[2-[3-[2-(propan-2-ylcarbamoylamino)propan-2-yl]phenyl]propan-2-yl]propanamide is sourced from PubChem (CID 129087089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).