N-benzyl-4-[[2-(3-butan-2-yloxyanilino)acetyl]amino]benzamide

C26H29N3O3 — CID 54829711

IUPACN-benzyl-4-[[2-(3-butan-2-yloxyanilino)acetyl]amino]benzamide
SMILESCCC(C)Oc1cccc(NCC(=O)Nc2ccc(C(=O)NCc3ccccc3)cc2)c1
InChIInChI=1S/C26H29N3O3/c1-3-19(2)32-24-11-7-10-23(16-24)27-18-25(30)29-22-14-12-21(13-15-22)26(31)28-17-20-8-5-4-6-9-20/h4-16,19,27H,3,17-18H2,1-2H3,(H,28,31)(H,29,30)
InChIKeyGNPXTNSQOUVQGT-UHFFFAOYSA-N
MW431.54 g/mol
LogP4.84
Rot. Bonds10

About N-benzyl-4-[[2-(3-butan-2-yloxyanilino)acetyl]amino]benzamide

N-benzyl-4-[[2-(3-butan-2-yloxyanilino)acetyl]amino]benzamide (PubChem CID 54829711) has the molecular formula C26H29N3O3 and a molecular weight of 431.54 g/mol. Its IUPAC name is N-benzyl-4-[[2-(3-butan-2-yloxyanilino)acetyl]amino]benzamide.

Molecular Properties

Compound NameN-benzyl-4-[[2-(3-butan-2-yloxyanilino)acetyl]amino]benzamide
PubChem CID54829711
Molecular FormulaC26H29N3O3
Molecular Weight431.54 g/mol
Exact Mass431.22
IUPAC NameN-benzyl-4-[[2-(3-butan-2-yloxyanilino)acetyl]amino]benzamide
SMILESCCC(C)Oc1cccc(NCC(=O)Nc2ccc(C(=O)NCc3ccccc3)cc2)c1
InChIInChI=1S/C26H29N3O3/c1-3-19(2)32-24-11-7-10-23(16-24)27-18-25(30)29-22-14-12-21(13-15-22)26(31)28-17-20-8-5-4-6-9-20/h4-16,19,27H,3,17-18H2,1-2H3,(H,28,31)(H,29,30)
InChIKeyGNPXTNSQOUVQGT-UHFFFAOYSA-N
XLogP4.84
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.54
LogP ≤ 54.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[2-(3-butan-2-yloxyanilino)acetyl]amino]-N-propylbenzamide
CID 54829612
4-[[2-(3-butan-2-yloxyanilino)acetyl]amino]-N-propan-2-ylbenzamide
CID 54829387
N-[4-[[2-(3-butan-2-yloxyanilino)-2-oxoethyl]amino]phenyl]-3-phenylpropanamide
CID 54839942
N-benzyl-4-[[2-oxo-2-(3-phenylmethoxyanilino)ethyl]amino]benzamide
CID 54843886
N-benzyl-4-[[2-oxo-2-[3-(propanoylamino)anilino]ethyl]amino]benzamide
CID 54843743
N-benzyl-4-[[2-(3-bromoanilino)acetyl]amino]benzamide
CID 54840404
N-benzyl-3-[[2-oxo-2-[4-(propanoylamino)anilino]ethyl]amino]benzamide
CID 54844304
N-(3-butan-2-yloxyphenyl)-2-(4-phenoxyanilino)acetamide
CID 54812451
N-benzyl-3-[[2-(4-propan-2-yloxyanilino)acetyl]amino]benzamide
CID 54822226
3-[[2-(3-butan-2-yloxyanilino)-2-oxoethyl]amino]-N-propylbenzamide
CID 54838782
4-[[2-(4-butan-2-yloxyanilino)-2-oxoethyl]amino]-N-ethylbenzamide
CID 54839201
N-benzyl-4-[[2-(naphthalen-2-ylamino)acetyl]amino]benzamide
CID 54839752

Frequently Asked Questions

What is the IUPAC name of N-benzyl-4-[[2-(3-butan-2-yloxyanilino)acetyl]amino]benzamide?
The IUPAC name of N-benzyl-4-[[2-(3-butan-2-yloxyanilino)acetyl]amino]benzamide (CID 54829711) is N-benzyl-4-[[2-(3-butan-2-yloxyanilino)acetyl]amino]benzamide.
What is the SMILES notation for N-benzyl-4-[[2-(3-butan-2-yloxyanilino)acetyl]amino]benzamide?
The canonical SMILES for N-benzyl-4-[[2-(3-butan-2-yloxyanilino)acetyl]amino]benzamide is CCC(C)Oc1cccc(NCC(=O)Nc2ccc(C(=O)NCc3ccccc3)cc2)c1.
What is the InChIKey of N-benzyl-4-[[2-(3-butan-2-yloxyanilino)acetyl]amino]benzamide?
The InChIKey is GNPXTNSQOUVQGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N3O3/c1-3-19(2)32-24-11-7-10-23(16-24)27-18-25(30)29-22-14-12-21(13-15-22)26(31)28-17-20-8-5-4-6-9-20/h4-16,19,27H,3,17-18H2,1-2H3,(H,28,31)(H,29,30).
What are the key properties of N-benzyl-4-[[2-(3-butan-2-yloxyanilino)acetyl]amino]benzamide?
N-benzyl-4-[[2-(3-butan-2-yloxyanilino)acetyl]amino]benzamide has a molecular weight of 431.54 g/mol, XLogP of 4.84, 10 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-4-[[2-(3-butan-2-yloxyanilino)acetyl]amino]benzamide is sourced from PubChem (CID 54829711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).