N-butan-2-yl-3-[[2-[4-(diethylcarbamoyl)anilino]-2-oxoethyl]amino]benzamide

C24H32N4O3 — CID 54835105

IUPACN-butan-2-yl-3-[[2-[4-(diethylcarbamoyl)anilino]-2-oxoethyl]amino]benzamide
SMILESCCC(C)NC(=O)c1cccc(NCC(=O)Nc2ccc(C(=O)N(CC)CC)cc2)c1
InChIInChI=1S/C24H32N4O3/c1-5-17(4)26-23(30)19-9-8-10-21(15-19)25-16-22(29)27-20-13-11-18(12-14-20)24(31)28(6-2)7-3/h8-15,17,25H,5-7,16H2,1-4H3,(H,26,30)(H,27,29)
InChIKeyZMQLHKPSRYCEOR-UHFFFAOYSA-N
MW424.55 g/mol
LogP3.75
Rot. Bonds10

About N-butan-2-yl-3-[[2-[4-(diethylcarbamoyl)anilino]-2-oxoethyl]amino]benzamide

N-butan-2-yl-3-[[2-[4-(diethylcarbamoyl)anilino]-2-oxoethyl]amino]benzamide (PubChem CID 54835105) has the molecular formula C24H32N4O3 and a molecular weight of 424.55 g/mol. Its IUPAC name is N-butan-2-yl-3-[[2-[4-(diethylcarbamoyl)anilino]-2-oxoethyl]amino]benzamide.

Molecular Properties

Compound NameN-butan-2-yl-3-[[2-[4-(diethylcarbamoyl)anilino]-2-oxoethyl]amino]benzamide
PubChem CID54835105
Molecular FormulaC24H32N4O3
Molecular Weight424.55 g/mol
Exact Mass424.25
IUPAC NameN-butan-2-yl-3-[[2-[4-(diethylcarbamoyl)anilino]-2-oxoethyl]amino]benzamide
SMILESCCC(C)NC(=O)c1cccc(NCC(=O)Nc2ccc(C(=O)N(CC)CC)cc2)c1
InChIInChI=1S/C24H32N4O3/c1-5-17(4)26-23(30)19-9-8-10-21(15-19)25-16-22(29)27-20-13-11-18(12-14-20)24(31)28(6-2)7-3/h8-15,17,25H,5-7,16H2,1-4H3,(H,26,30)(H,27,29)
InChIKeyZMQLHKPSRYCEOR-UHFFFAOYSA-N
XLogP3.75
TPSA90.54 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.55
LogP ≤ 53.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[2-[4-(butan-2-ylcarbamoyl)anilino]-2-oxoethyl]amino]-N,N-diethylbenzamide
CID 54832656
N-butan-2-yl-3-[[2-[3-(diethylcarbamoyl)anilino]-2-oxoethyl]amino]benzamide
CID 54835017
N-butan-2-yl-3-[[2-(4-methylanilino)-2-oxoethyl]amino]benzamide
CID 54834919
N-butan-2-yl-3-[[2-[4-(dimethylcarbamoyl)anilino]acetyl]amino]benzamide
CID 54840688
N-butan-2-yl-3-[[2-(4-chloroanilino)-2-oxoethyl]amino]benzamide
CID 54833658
N-butan-2-yl-3-[[2-[4-(tert-butylcarbamoyl)anilino]-2-oxoethyl]amino]benzamide
CID 54835192
3-[[2-[4-(diethylcarbamoyl)anilino]acetyl]amino]-N-(1-phenylethyl)benzamide
CID 54834304
3-[[2-(3-acetamidoanilino)acetyl]amino]-N-butan-2-ylbenzamide
CID 54831805
4-[[2-(3-acetamidoanilino)acetyl]amino]-N-butan-2-ylbenzamide
CID 54831862
N-butan-2-yl-3-[[2-[4-(3-methoxypropylcarbamoyl)anilino]-2-oxoethyl]amino]benzamide
CID 54835277
N-[4-[[2-[3-(butan-2-ylcarbamoyl)anilino]-2-oxoethyl]amino]phenyl]-3-methylbenzamide
CID 54840381
N-butan-2-yl-3-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]benzamide
CID 54835244

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-3-[[2-[4-(diethylcarbamoyl)anilino]-2-oxoethyl]amino]benzamide?
The IUPAC name of N-butan-2-yl-3-[[2-[4-(diethylcarbamoyl)anilino]-2-oxoethyl]amino]benzamide (CID 54835105) is N-butan-2-yl-3-[[2-[4-(diethylcarbamoyl)anilino]-2-oxoethyl]amino]benzamide.
What is the SMILES notation for N-butan-2-yl-3-[[2-[4-(diethylcarbamoyl)anilino]-2-oxoethyl]amino]benzamide?
The canonical SMILES for N-butan-2-yl-3-[[2-[4-(diethylcarbamoyl)anilino]-2-oxoethyl]amino]benzamide is CCC(C)NC(=O)c1cccc(NCC(=O)Nc2ccc(C(=O)N(CC)CC)cc2)c1.
What is the InChIKey of N-butan-2-yl-3-[[2-[4-(diethylcarbamoyl)anilino]-2-oxoethyl]amino]benzamide?
The InChIKey is ZMQLHKPSRYCEOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N4O3/c1-5-17(4)26-23(30)19-9-8-10-21(15-19)25-16-22(29)27-20-13-11-18(12-14-20)24(31)28(6-2)7-3/h8-15,17,25H,5-7,16H2,1-4H3,(H,26,30)(H,27,29).
What are the key properties of N-butan-2-yl-3-[[2-[4-(diethylcarbamoyl)anilino]-2-oxoethyl]amino]benzamide?
N-butan-2-yl-3-[[2-[4-(diethylcarbamoyl)anilino]-2-oxoethyl]amino]benzamide has a molecular weight of 424.55 g/mol, XLogP of 3.75, 10 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-3-[[2-[4-(diethylcarbamoyl)anilino]-2-oxoethyl]amino]benzamide is sourced from PubChem (CID 54835105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).