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

C24H30N4O4 — CID 54835046

IUPACN-butan-2-yl-3-[[2-[4-(morpholine-4-carbonyl)anilino]-2-oxoethyl]amino]benzamide
SMILESCCC(C)NC(=O)c1cccc(NCC(=O)Nc2ccc(C(=O)N3CCOCC3)cc2)c1
InChIInChI=1S/C24H30N4O4/c1-3-17(2)26-23(30)19-5-4-6-21(15-19)25-16-22(29)27-20-9-7-18(8-10-20)24(31)28-11-13-32-14-12-28/h4-10,15,17,25H,3,11-14,16H2,1-2H3,(H,26,30)(H,27,29)
InChIKeyHZTOQAWIJFIJEK-UHFFFAOYSA-N
MW438.53 g/mol
LogP2.74
Rot. Bonds8

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

N-butan-2-yl-3-[[2-[4-(morpholine-4-carbonyl)anilino]-2-oxoethyl]amino]benzamide (PubChem CID 54835046) has the molecular formula C24H30N4O4 and a molecular weight of 438.53 g/mol. Its IUPAC name is N-butan-2-yl-3-[[2-[4-(morpholine-4-carbonyl)anilino]-2-oxoethyl]amino]benzamide.

Molecular Properties

Compound NameN-butan-2-yl-3-[[2-[4-(morpholine-4-carbonyl)anilino]-2-oxoethyl]amino]benzamide
PubChem CID54835046
Molecular FormulaC24H30N4O4
Molecular Weight438.53 g/mol
Exact Mass438.23
IUPAC NameN-butan-2-yl-3-[[2-[4-(morpholine-4-carbonyl)anilino]-2-oxoethyl]amino]benzamide
SMILESCCC(C)NC(=O)c1cccc(NCC(=O)Nc2ccc(C(=O)N3CCOCC3)cc2)c1
InChIInChI=1S/C24H30N4O4/c1-3-17(2)26-23(30)19-5-4-6-21(15-19)25-16-22(29)27-20-9-7-18(8-10-20)24(31)28-11-13-32-14-12-28/h4-10,15,17,25H,3,11-14,16H2,1-2H3,(H,26,30)(H,27,29)
InChIKeyHZTOQAWIJFIJEK-UHFFFAOYSA-N
XLogP2.74
TPSA99.77 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.53
LogP ≤ 52.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-butan-2-yl-4-[[2-[4-(morpholine-4-carbonyl)anilino]-2-oxoethyl]amino]benzamide
CID 54834706
N-methyl-3-[[2-[4-(morpholine-4-carbonyl)anilino]acetyl]amino]benzamide
CID 54832192
N-[4-(morpholine-4-carbonyl)phenyl]-2-[3-(piperidine-1-carbonyl)anilino]acetamide
CID 54843375
N-butan-2-yl-3-[[2-(4-methylanilino)-2-oxoethyl]amino]benzamide
CID 54834919
3-[[2-[4-(morpholine-4-carbonyl)anilino]-2-oxoethyl]amino]-N,N-dipropylbenzamide
CID 54841277
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-(morpholine-4-carbonyl)anilino]-2-oxoethyl]amino]-N-[3-(trifluoromethyl)phenyl]benzamide
CID 54844558
N-[4-[[2-[3-(morpholine-4-carbonyl)anilino]-2-oxoethyl]amino]phenyl]butanamide
CID 54836996
N-butan-2-yl-3-[[2-[4-(diethylcarbamoyl)anilino]-2-oxoethyl]amino]benzamide
CID 54835105
N-tert-butyl-3-[[2-[3-(morpholine-4-carbonyl)anilino]-2-oxoethyl]amino]benzamide
CID 54844342
4-[[2-[3-(piperidine-1-carbonyl)anilino]acetyl]amino]-N-propan-2-ylbenzamide
CID 54843470

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-3-[[2-[4-(morpholine-4-carbonyl)anilino]-2-oxoethyl]amino]benzamide?
The IUPAC name of N-butan-2-yl-3-[[2-[4-(morpholine-4-carbonyl)anilino]-2-oxoethyl]amino]benzamide (CID 54835046) is N-butan-2-yl-3-[[2-[4-(morpholine-4-carbonyl)anilino]-2-oxoethyl]amino]benzamide.
What is the SMILES notation for N-butan-2-yl-3-[[2-[4-(morpholine-4-carbonyl)anilino]-2-oxoethyl]amino]benzamide?
The canonical SMILES for N-butan-2-yl-3-[[2-[4-(morpholine-4-carbonyl)anilino]-2-oxoethyl]amino]benzamide is CCC(C)NC(=O)c1cccc(NCC(=O)Nc2ccc(C(=O)N3CCOCC3)cc2)c1.
What is the InChIKey of N-butan-2-yl-3-[[2-[4-(morpholine-4-carbonyl)anilino]-2-oxoethyl]amino]benzamide?
The InChIKey is HZTOQAWIJFIJEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N4O4/c1-3-17(2)26-23(30)19-5-4-6-21(15-19)25-16-22(29)27-20-9-7-18(8-10-20)24(31)28-11-13-32-14-12-28/h4-10,15,17,25H,3,11-14,16H2,1-2H3,(H,26,30)(H,27,29).
What are the key properties of N-butan-2-yl-3-[[2-[4-(morpholine-4-carbonyl)anilino]-2-oxoethyl]amino]benzamide?
N-butan-2-yl-3-[[2-[4-(morpholine-4-carbonyl)anilino]-2-oxoethyl]amino]benzamide has a molecular weight of 438.53 g/mol, XLogP of 2.74, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-3-[[2-[4-(morpholine-4-carbonyl)anilino]-2-oxoethyl]amino]benzamide is sourced from PubChem (CID 54835046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).