4-[[2-(3-butoxyanilino)acetyl]amino]-N-methyl-N-phenylbenzamide

C26H29N3O3 — CID 54824843

IUPAC4-[[2-(3-butoxyanilino)acetyl]amino]-N-methyl-N-phenylbenzamide
SMILESCCCCOc1cccc(NCC(=O)Nc2ccc(C(=O)N(C)c3ccccc3)cc2)c1
InChIInChI=1S/C26H29N3O3/c1-3-4-17-32-24-12-8-9-22(18-24)27-19-25(30)28-21-15-13-20(14-16-21)26(31)29(2)23-10-6-5-7-11-23/h5-16,18,27H,3-4,17,19H2,1-2H3,(H,28,30)
InChIKeySXRSVEGCELUQNV-UHFFFAOYSA-N
MW431.54 g/mol
LogP5.19
Rot. Bonds10

About 4-[[2-(3-butoxyanilino)acetyl]amino]-N-methyl-N-phenylbenzamide

4-[[2-(3-butoxyanilino)acetyl]amino]-N-methyl-N-phenylbenzamide (PubChem CID 54824843) has the molecular formula C26H29N3O3 and a molecular weight of 431.54 g/mol. Its IUPAC name is 4-[[2-(3-butoxyanilino)acetyl]amino]-N-methyl-N-phenylbenzamide.

Molecular Properties

Compound Name4-[[2-(3-butoxyanilino)acetyl]amino]-N-methyl-N-phenylbenzamide
PubChem CID54824843
Molecular FormulaC26H29N3O3
Molecular Weight431.54 g/mol
Exact Mass431.22
IUPAC Name4-[[2-(3-butoxyanilino)acetyl]amino]-N-methyl-N-phenylbenzamide
SMILESCCCCOc1cccc(NCC(=O)Nc2ccc(C(=O)N(C)c3ccccc3)cc2)c1
InChIInChI=1S/C26H29N3O3/c1-3-4-17-32-24-12-8-9-22(18-24)27-19-25(30)28-21-15-13-20(14-16-21)26(31)29(2)23-10-6-5-7-11-23/h5-16,18,27H,3-4,17,19H2,1-2H3,(H,28,30)
InChIKeySXRSVEGCELUQNV-UHFFFAOYSA-N
XLogP5.19
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.54
LogP ≤ 55.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-methyl-4-[[2-[3-(2-methylprop-2-enoxy)anilino]acetyl]amino]-N-phenylbenzamide
CID 54825738
N,N-dimethyl-4-[[2-(3-propoxyanilino)acetyl]amino]benzamide
CID 36860927
3-[[2-(3-ethoxyanilino)-2-oxoethyl]amino]-N-methyl-N-phenylbenzamide
CID 54837384
4-[[2-(3-methoxyanilino)-2-oxoethyl]amino]-N-methyl-N-phenylbenzamide
CID 54838445
N-methyl-4-[[2-[3-(2-methylprop-2-enoxy)anilino]-2-oxoethyl]amino]-N-phenylbenzamide
CID 54838448
N-(4-butoxyphenyl)-2-(3-methoxyanilino)acetamide
CID 54814474
N-(4-ethoxyphenyl)-2-(3-heptoxyanilino)acetamide
CID 54829289
N-ethyl-3-[[2-(3-heptoxyanilino)-2-oxoethyl]amino]-N-phenylbenzamide
CID 54838884
2-(3-hexoxyanilino)-N-[4-(2-phenylethoxy)phenyl]acetamide
CID 54823270
N-[4-[[2-(3-butoxyanilino)-2-oxoethyl]amino]phenyl]butanamide
CID 54837051
N-ethyl-N-phenyl-4-[[2-(3-phenylmethoxyanilino)acetyl]amino]benzamide
CID 54826705
N-benzyl-3-[[2-(4-butoxyanilino)-2-oxoethyl]amino]-N-methylbenzamide
CID 54842111

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(3-butoxyanilino)acetyl]amino]-N-methyl-N-phenylbenzamide?
The IUPAC name of 4-[[2-(3-butoxyanilino)acetyl]amino]-N-methyl-N-phenylbenzamide (CID 54824843) is 4-[[2-(3-butoxyanilino)acetyl]amino]-N-methyl-N-phenylbenzamide.
What is the SMILES notation for 4-[[2-(3-butoxyanilino)acetyl]amino]-N-methyl-N-phenylbenzamide?
The canonical SMILES for 4-[[2-(3-butoxyanilino)acetyl]amino]-N-methyl-N-phenylbenzamide is CCCCOc1cccc(NCC(=O)Nc2ccc(C(=O)N(C)c3ccccc3)cc2)c1.
What is the InChIKey of 4-[[2-(3-butoxyanilino)acetyl]amino]-N-methyl-N-phenylbenzamide?
The InChIKey is SXRSVEGCELUQNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N3O3/c1-3-4-17-32-24-12-8-9-22(18-24)27-19-25(30)28-21-15-13-20(14-16-21)26(31)29(2)23-10-6-5-7-11-23/h5-16,18,27H,3-4,17,19H2,1-2H3,(H,28,30).
What are the key properties of 4-[[2-(3-butoxyanilino)acetyl]amino]-N-methyl-N-phenylbenzamide?
4-[[2-(3-butoxyanilino)acetyl]amino]-N-methyl-N-phenylbenzamide has a molecular weight of 431.54 g/mol, XLogP of 5.19, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(3-butoxyanilino)acetyl]amino]-N-methyl-N-phenylbenzamide is sourced from PubChem (CID 54824843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).