2-[[2-(2-methylanilino)-2-oxoethyl]amino]-N-(2-methylpropyl)propanamide

C16H25N3O2 — CID 115745528

IUPAC2-[[2-(2-methylanilino)-2-oxoethyl]amino]-N-(2-methylpropyl)propanamide
SMILESCc1ccccc1NC(=O)CNC(C)C(=O)NCC(C)C
InChIInChI=1S/C16H25N3O2/c1-11(2)9-18-16(21)13(4)17-10-15(20)19-14-8-6-5-7-12(14)3/h5-8,11,13,17H,9-10H2,1-4H3,(H,18,21)(H,19,20)
InChIKeyWYVKUYGYEFIIDT-UHFFFAOYSA-N
MW291.39 g/mol
LogP1.68
Rot. Bonds7

About 2-[[2-(2-methylanilino)-2-oxoethyl]amino]-N-(2-methylpropyl)propanamide

2-[[2-(2-methylanilino)-2-oxoethyl]amino]-N-(2-methylpropyl)propanamide (PubChem CID 115745528) has the molecular formula C16H25N3O2 and a molecular weight of 291.39 g/mol. Its IUPAC name is 2-[[2-(2-methylanilino)-2-oxoethyl]amino]-N-(2-methylpropyl)propanamide.

Molecular Properties

Compound Name2-[[2-(2-methylanilino)-2-oxoethyl]amino]-N-(2-methylpropyl)propanamide
PubChem CID115745528
Molecular FormulaC16H25N3O2
Molecular Weight291.39 g/mol
Exact Mass291.19
IUPAC Name2-[[2-(2-methylanilino)-2-oxoethyl]amino]-N-(2-methylpropyl)propanamide
SMILESCc1ccccc1NC(=O)CNC(C)C(=O)NCC(C)C
InChIInChI=1S/C16H25N3O2/c1-11(2)9-18-16(21)13(4)17-10-15(20)19-14-8-6-5-7-12(14)3/h5-8,11,13,17H,9-10H2,1-4H3,(H,18,21)(H,19,20)
InChIKeyWYVKUYGYEFIIDT-UHFFFAOYSA-N
XLogP1.68
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 51.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1-hydroxypropan-2-ylamino)-N-(2-methylphenyl)acetamide
CID 43499948
2-(1-methoxypropan-2-ylamino)-N-(2-methylphenyl)acetamide
CID 43179613
2-[[2-(2-fluoroanilino)-2-oxoethyl]amino]-N-propylpropanamide
CID 60695769
N-(2-methylpropyl)-2-[[2-(propan-2-ylamino)acetyl]amino]benzamide
CID 60683064
2-(2-hydroxyethylamino)-N-(2-methylphenyl)propanamide
CID 82358477
N-(2-methylphenyl)-2-(1-pyrrolidin-1-ylpropan-2-ylamino)acetamide
CID 61474184
2-(benzylamino)-N-(2-methylpropyl)propanamide
CID 43086806
N-(2-methylpropyl)-2-[2-(trifluoromethyl)anilino]propanamide
CID 43088640
2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]-N-(2-methylphenyl)acetamide
CID 9306757
3-[(2-methylphenyl)carbamoylamino]butanoic acid
CID 61196856
(2S)-2-amino-4-methyl-N-(2-methylphenyl)pentanamide
CID 22691032
N-(2-methylphenyl)-2-[[(1S)-1-pyridin-2-ylethyl]amino]acetamide
CID 81401913

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(2-methylanilino)-2-oxoethyl]amino]-N-(2-methylpropyl)propanamide?
The IUPAC name of 2-[[2-(2-methylanilino)-2-oxoethyl]amino]-N-(2-methylpropyl)propanamide (CID 115745528) is 2-[[2-(2-methylanilino)-2-oxoethyl]amino]-N-(2-methylpropyl)propanamide.
What is the SMILES notation for 2-[[2-(2-methylanilino)-2-oxoethyl]amino]-N-(2-methylpropyl)propanamide?
The canonical SMILES for 2-[[2-(2-methylanilino)-2-oxoethyl]amino]-N-(2-methylpropyl)propanamide is Cc1ccccc1NC(=O)CNC(C)C(=O)NCC(C)C.
What is the InChIKey of 2-[[2-(2-methylanilino)-2-oxoethyl]amino]-N-(2-methylpropyl)propanamide?
The InChIKey is WYVKUYGYEFIIDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2/c1-11(2)9-18-16(21)13(4)17-10-15(20)19-14-8-6-5-7-12(14)3/h5-8,11,13,17H,9-10H2,1-4H3,(H,18,21)(H,19,20).
What are the key properties of 2-[[2-(2-methylanilino)-2-oxoethyl]amino]-N-(2-methylpropyl)propanamide?
2-[[2-(2-methylanilino)-2-oxoethyl]amino]-N-(2-methylpropyl)propanamide has a molecular weight of 291.39 g/mol, XLogP of 1.68, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(2-methylanilino)-2-oxoethyl]amino]-N-(2-methylpropyl)propanamide is sourced from PubChem (CID 115745528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).