4-methyl-N-[2-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]ethyl]benzamide

C15H23N3O2 — CID 60965904

IUPAC4-methyl-N-[2-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]ethyl]benzamide
SMILESCc1ccc(C(=O)NCCNCC(=O)NC(C)C)cc1
InChIInChI=1S/C15H23N3O2/c1-11(2)18-14(19)10-16-8-9-17-15(20)13-6-4-12(3)5-7-13/h4-7,11,16H,8-10H2,1-3H3,(H,17,20)(H,18,19)
InChIKeyMLINBCPKSVQFBP-UHFFFAOYSA-N
MW277.37 g/mol
LogP0.84
Rot. Bonds7

About 4-methyl-N-[2-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]ethyl]benzamide

4-methyl-N-[2-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]ethyl]benzamide (PubChem CID 60965904) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is 4-methyl-N-[2-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]ethyl]benzamide.

Molecular Properties

Compound Name4-methyl-N-[2-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]ethyl]benzamide
PubChem CID60965904
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC Name4-methyl-N-[2-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]ethyl]benzamide
SMILESCc1ccc(C(=O)NCCNCC(=O)NC(C)C)cc1
InChIInChI=1S/C15H23N3O2/c1-11(2)18-14(19)10-16-8-9-17-15(20)13-6-4-12(3)5-7-13/h4-7,11,16H,8-10H2,1-3H3,(H,17,20)(H,18,19)
InChIKeyMLINBCPKSVQFBP-UHFFFAOYSA-N
XLogP0.84
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 50.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-[[2-(tert-butylamino)-2-oxoethyl]amino]ethyl]-4-methylbenzamide
CID 60966159
N-[2-[[2-(diethylamino)-2-oxoethyl]amino]ethyl]-4-methylbenzamide
CID 60966022
N-[2-[[(Z)-3-chloro-2-methylprop-2-enyl]amino]ethyl]-4-methylbenzamide
CID 106437521
N-[2-[[2-(3,4-dimethylphenyl)-2-oxoethyl]amino]ethyl]-4-methylbenzamide
CID 170027016
N-[2-(2-chloropropanoylamino)ethyl]-4-methylbenzamide
CID 54880790
N-[[(2R,3S,4R,5S)-3,4-dihydroxy-5-[2-oxo-2-(propan-2-ylamino)ethyl]oxolan-2-yl]methyl]-4-methylbenzamide
CID 40777833
N-(2-acetamidoethyl)-4-methylbenzamide
CID 4186573
4-methyl-N-[2-(methylamino)ethyl]benzamide
CID 59535801
N-[2-(butylamino)ethyl]-4-methylbenzamide
CID 54880787
N-[2-[[3-(ethylamino)-2-methylpropanoyl]amino]ethyl]-4-methylbenzamide
CID 62854007
N-[2-[(2-aminoacetyl)amino]ethyl]-4-methylbenzamide
CID 54880610
4-methyl-N-[2-(3-oxobutanoylamino)ethyl]benzamide
CID 54880636

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[2-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]ethyl]benzamide?
The IUPAC name of 4-methyl-N-[2-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]ethyl]benzamide (CID 60965904) is 4-methyl-N-[2-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]ethyl]benzamide.
What is the SMILES notation for 4-methyl-N-[2-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]ethyl]benzamide?
The canonical SMILES for 4-methyl-N-[2-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]ethyl]benzamide is Cc1ccc(C(=O)NCCNCC(=O)NC(C)C)cc1.
What is the InChIKey of 4-methyl-N-[2-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]ethyl]benzamide?
The InChIKey is MLINBCPKSVQFBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2/c1-11(2)18-14(19)10-16-8-9-17-15(20)13-6-4-12(3)5-7-13/h4-7,11,16H,8-10H2,1-3H3,(H,17,20)(H,18,19).
What are the key properties of 4-methyl-N-[2-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]ethyl]benzamide?
4-methyl-N-[2-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]ethyl]benzamide has a molecular weight of 277.37 g/mol, XLogP of 0.84, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[2-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]ethyl]benzamide is sourced from PubChem (CID 60965904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).