N-butan-2-yl-3-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]benzamide

C16H25N3O2 — CID 54835244

IUPACN-butan-2-yl-3-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]benzamide
SMILESCCC(C)NC(=O)c1cccc(NCC(=O)NC(C)C)c1
InChIInChI=1S/C16H25N3O2/c1-5-12(4)19-16(21)13-7-6-8-14(9-13)17-10-15(20)18-11(2)3/h6-9,11-12,17H,5,10H2,1-4H3,(H,18,20)(H,19,21)
InChIKeyMTYMPNVVWPWCQR-UHFFFAOYSA-N
MW291.39 g/mol
LogP2.15
Rot. Bonds7

About N-butan-2-yl-3-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]benzamide

N-butan-2-yl-3-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]benzamide (PubChem CID 54835244) has the molecular formula C16H25N3O2 and a molecular weight of 291.39 g/mol. Its IUPAC name is N-butan-2-yl-3-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]benzamide.

Molecular Properties

Compound NameN-butan-2-yl-3-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]benzamide
PubChem CID54835244
Molecular FormulaC16H25N3O2
Molecular Weight291.39 g/mol
Exact Mass291.19
IUPAC NameN-butan-2-yl-3-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]benzamide
SMILESCCC(C)NC(=O)c1cccc(NCC(=O)NC(C)C)c1
InChIInChI=1S/C16H25N3O2/c1-5-12(4)19-16(21)13-7-6-8-14(9-13)17-10-15(20)18-11(2)3/h6-9,11-12,17H,5,10H2,1-4H3,(H,18,20)(H,19,21)
InChIKeyMTYMPNVVWPWCQR-UHFFFAOYSA-N
XLogP2.15
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 ≤ 52.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-butan-2-yl-3-[[2-(4-methylanilino)-2-oxoethyl]amino]benzamide
CID 54834919
3-[[2-(3-acetamidoanilino)acetyl]amino]-N-butan-2-ylbenzamide
CID 54831805
3-[[2-[3-(butan-2-ylcarbamoyl)anilino]-2-oxoethyl]amino]-N-tert-butylbenzamide
CID 54844628
N-butan-2-yl-3-[[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]benzamide
CID 54833805
N-butan-2-yl-3-[[2-(4-chloroanilino)-2-oxoethyl]amino]benzamide
CID 54833658
N-butan-2-yl-3-[[2-[3-(2-methylpropanoylamino)anilino]-2-oxoethyl]amino]benzamide
CID 54834956
N-butan-2-yl-3-[[2-(3,5-dimethylanilino)acetyl]amino]benzamide
CID 54813452
2-(3-acetylanilino)-N-[(2R)-butan-2-yl]acetamide
CID 32897161
N-butan-2-yl-3-[[2-[3-(2,2-dimethylpropanoylamino)anilino]acetyl]amino]benzamide
CID 54835547
N-butan-2-yl-3-[[2-[3-(2,2-dimethylpropanoylamino)anilino]-2-oxoethyl]amino]benzamide
CID 54835251
N-butan-2-yl-3-[[2-[3-(diethylcarbamoyl)anilino]-2-oxoethyl]amino]benzamide
CID 54835017
3-[[2-oxo-2-[3-(propanoylamino)anilino]ethyl]amino]-N-propan-2-ylbenzamide
CID 54833731

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-3-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]benzamide?
The IUPAC name of N-butan-2-yl-3-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]benzamide (CID 54835244) is N-butan-2-yl-3-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]benzamide.
What is the SMILES notation for N-butan-2-yl-3-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]benzamide?
The canonical SMILES for N-butan-2-yl-3-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]benzamide is CCC(C)NC(=O)c1cccc(NCC(=O)NC(C)C)c1.
What is the InChIKey of N-butan-2-yl-3-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]benzamide?
The InChIKey is MTYMPNVVWPWCQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2/c1-5-12(4)19-16(21)13-7-6-8-14(9-13)17-10-15(20)18-11(2)3/h6-9,11-12,17H,5,10H2,1-4H3,(H,18,20)(H,19,21).
What are the key properties of N-butan-2-yl-3-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]benzamide?
N-butan-2-yl-3-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]benzamide has a molecular weight of 291.39 g/mol, XLogP of 2.15, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-3-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]benzamide is sourced from PubChem (CID 54835244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).