4-[[1-[benzyl(methyl)amino]-1-oxopropan-2-yl]amino]-N-cyclopropylbenzamide

C21H25N3O2 — CID 55511124

IUPAC4-[[1-[benzyl(methyl)amino]-1-oxopropan-2-yl]amino]-N-cyclopropylbenzamide
SMILESCC(Nc1ccc(C(=O)NC2CC2)cc1)C(=O)N(C)Cc1ccccc1
InChIInChI=1S/C21H25N3O2/c1-15(21(26)24(2)14-16-6-4-3-5-7-16)22-18-10-8-17(9-11-18)20(25)23-19-12-13-19/h3-11,15,19,22H,12-14H2,1-2H3,(H,23,25)
InChIKeyLKTNYWIYUILLQR-UHFFFAOYSA-N
MW351.45 g/mol
LogP3.04
Rot. Bonds7

About 4-[[1-[benzyl(methyl)amino]-1-oxopropan-2-yl]amino]-N-cyclopropylbenzamide

4-[[1-[benzyl(methyl)amino]-1-oxopropan-2-yl]amino]-N-cyclopropylbenzamide (PubChem CID 55511124) has the molecular formula C21H25N3O2 and a molecular weight of 351.45 g/mol. Its IUPAC name is 4-[[1-[benzyl(methyl)amino]-1-oxopropan-2-yl]amino]-N-cyclopropylbenzamide.

Molecular Properties

Compound Name4-[[1-[benzyl(methyl)amino]-1-oxopropan-2-yl]amino]-N-cyclopropylbenzamide
PubChem CID55511124
Molecular FormulaC21H25N3O2
Molecular Weight351.45 g/mol
Exact Mass351.19
IUPAC Name4-[[1-[benzyl(methyl)amino]-1-oxopropan-2-yl]amino]-N-cyclopropylbenzamide
SMILESCC(Nc1ccc(C(=O)NC2CC2)cc1)C(=O)N(C)Cc1ccccc1
InChIInChI=1S/C21H25N3O2/c1-15(21(26)24(2)14-16-6-4-3-5-7-16)22-18-10-8-17(9-11-18)20(25)23-19-12-13-19/h3-11,15,19,22H,12-14H2,1-2H3,(H,23,25)
InChIKeyLKTNYWIYUILLQR-UHFFFAOYSA-N
XLogP3.04
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclopropyl-4-[[[(2R)-2-hydroxy-2-phenylacetyl]-methylamino]methyl]benzamide
CID 86781611
N-benzyl-2-(4-chloroanilino)-N-methylpropanamide
CID 78786179
4-[[1-(benzylcarbamoylamino)-1-oxopropan-2-yl]amino]-N-cyclopropylbenzamide
CID 55511597
N-cyclopropyl-4-[[1-(4-ethylanilino)-1-oxopropan-2-yl]amino]benzamide
CID 55511588
N-cyclopropyl-4-[[methyl-[2-[(4-phenylbenzoyl)amino]acetyl]amino]methyl]benzamide
CID 33360987
(2S)-N-benzyl-N-methyl-2-[4-(2-oxopyrrolidin-1-yl)anilino]propanamide
CID 8967422
4-benzyl-N-cyclopropylbenzamide
CID 45086871
N-cyclopropyl-4-(5-methylhexan-2-ylamino)benzamide
CID 43687524
N-cyclopropyl-4-[[cyclopropyl(3-phenylbutanoyl)amino]methyl]benzamide
CID 134062285
2-[3-[benzyl(methyl)amino]propylamino]-N-cyclopropylpropanamide
CID 43089275
4-[[benzenesulfonyl(methyl)amino]methyl]-N-cyclopropylbenzamide
CID 95933789
N-[[4-(cyclopropylcarbamoyl)phenyl]methyl]-N,2,3-trimethylbenzamide
CID 38398694

Frequently Asked Questions

What is the IUPAC name of 4-[[1-[benzyl(methyl)amino]-1-oxopropan-2-yl]amino]-N-cyclopropylbenzamide?
The IUPAC name of 4-[[1-[benzyl(methyl)amino]-1-oxopropan-2-yl]amino]-N-cyclopropylbenzamide (CID 55511124) is 4-[[1-[benzyl(methyl)amino]-1-oxopropan-2-yl]amino]-N-cyclopropylbenzamide.
What is the SMILES notation for 4-[[1-[benzyl(methyl)amino]-1-oxopropan-2-yl]amino]-N-cyclopropylbenzamide?
The canonical SMILES for 4-[[1-[benzyl(methyl)amino]-1-oxopropan-2-yl]amino]-N-cyclopropylbenzamide is CC(Nc1ccc(C(=O)NC2CC2)cc1)C(=O)N(C)Cc1ccccc1.
What is the InChIKey of 4-[[1-[benzyl(methyl)amino]-1-oxopropan-2-yl]amino]-N-cyclopropylbenzamide?
The InChIKey is LKTNYWIYUILLQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O2/c1-15(21(26)24(2)14-16-6-4-3-5-7-16)22-18-10-8-17(9-11-18)20(25)23-19-12-13-19/h3-11,15,19,22H,12-14H2,1-2H3,(H,23,25).
What are the key properties of 4-[[1-[benzyl(methyl)amino]-1-oxopropan-2-yl]amino]-N-cyclopropylbenzamide?
4-[[1-[benzyl(methyl)amino]-1-oxopropan-2-yl]amino]-N-cyclopropylbenzamide has a molecular weight of 351.45 g/mol, XLogP of 3.04, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1-[benzyl(methyl)amino]-1-oxopropan-2-yl]amino]-N-cyclopropylbenzamide is sourced from PubChem (CID 55511124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).