N-[3-[[2-(4-butan-2-yloxyanilino)acetyl]amino]phenyl]butanamide

C22H29N3O3 — CID 54830125

IUPACN-[3-[[2-(4-butan-2-yloxyanilino)acetyl]amino]phenyl]butanamide
SMILESCCCC(=O)Nc1cccc(NC(=O)CNc2ccc(OC(C)CC)cc2)c1
InChIInChI=1S/C22H29N3O3/c1-4-7-21(26)24-18-8-6-9-19(14-18)25-22(27)15-23-17-10-12-20(13-11-17)28-16(3)5-2/h6,8-14,16,23H,4-5,7,15H2,1-3H3,(H,24,26)(H,25,27)
InChIKeyNCIXESWKNRMFOO-UHFFFAOYSA-N
MW383.49 g/mol
LogP4.65
Rot. Bonds10

About N-[3-[[2-(4-butan-2-yloxyanilino)acetyl]amino]phenyl]butanamide

N-[3-[[2-(4-butan-2-yloxyanilino)acetyl]amino]phenyl]butanamide (PubChem CID 54830125) has the molecular formula C22H29N3O3 and a molecular weight of 383.49 g/mol. Its IUPAC name is N-[3-[[2-(4-butan-2-yloxyanilino)acetyl]amino]phenyl]butanamide.

Molecular Properties

Compound NameN-[3-[[2-(4-butan-2-yloxyanilino)acetyl]amino]phenyl]butanamide
PubChem CID54830125
Molecular FormulaC22H29N3O3
Molecular Weight383.49 g/mol
Exact Mass383.22
IUPAC NameN-[3-[[2-(4-butan-2-yloxyanilino)acetyl]amino]phenyl]butanamide
SMILESCCCC(=O)Nc1cccc(NC(=O)CNc2ccc(OC(C)CC)cc2)c1
InChIInChI=1S/C22H29N3O3/c1-4-7-21(26)24-18-8-6-9-19(14-18)25-22(27)15-23-17-10-12-20(13-11-17)28-16(3)5-2/h6,8-14,16,23H,4-5,7,15H2,1-3H3,(H,24,26)(H,25,27)
InChIKeyNCIXESWKNRMFOO-UHFFFAOYSA-N
XLogP4.65
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.49
LogP ≤ 54.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

N-[3-[[2-(4-butan-2-yloxyanilino)-2-oxoethyl]amino]phenyl]butanamide
CID 54830461
2-anilino-N-(4-butan-2-yloxyphenyl)acetamide
CID 54810187
N-(3-butan-2-yloxyphenyl)butanamide
CID 61394703
N-[3-[[2-(4-butan-2-yloxyanilino)-2-oxoethyl]amino]phenyl]-2-methylpropanamide
CID 54831493
N-[3-(butanoylamino)phenyl]-4-butan-2-yloxybenzamide
CID 17187670
N-[4-[[2-oxo-2-(3-propan-2-yloxyanilino)ethyl]amino]phenyl]butanamide
CID 54836962
N-(3-butan-2-yloxyphenyl)-2-(4-phenoxyanilino)acetamide
CID 54812451
N-[4-[[2-(3-butan-2-yloxyanilino)-2-oxoethyl]amino]phenyl]propanamide
CID 54835772
2-(4-butan-2-yloxyanilino)-N-(3-hexoxyphenyl)acetamide
CID 54830088
N-(3-butan-2-yloxyphenyl)-2-[4-(2-methylpropoxy)anilino]acetamide
CID 54820106
N-[4-[[2-(3-butan-2-yloxyanilino)-2-oxoethyl]amino]phenyl]-3-phenylpropanamide
CID 54839942
3-[[2-(4-butan-2-yloxyanilino)acetyl]amino]-N-butylbenzamide
CID 54830364

Frequently Asked Questions

What is the IUPAC name of N-[3-[[2-(4-butan-2-yloxyanilino)acetyl]amino]phenyl]butanamide?
The IUPAC name of N-[3-[[2-(4-butan-2-yloxyanilino)acetyl]amino]phenyl]butanamide (CID 54830125) is N-[3-[[2-(4-butan-2-yloxyanilino)acetyl]amino]phenyl]butanamide.
What is the SMILES notation for N-[3-[[2-(4-butan-2-yloxyanilino)acetyl]amino]phenyl]butanamide?
The canonical SMILES for N-[3-[[2-(4-butan-2-yloxyanilino)acetyl]amino]phenyl]butanamide is CCCC(=O)Nc1cccc(NC(=O)CNc2ccc(OC(C)CC)cc2)c1.
What is the InChIKey of N-[3-[[2-(4-butan-2-yloxyanilino)acetyl]amino]phenyl]butanamide?
The InChIKey is NCIXESWKNRMFOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O3/c1-4-7-21(26)24-18-8-6-9-19(14-18)25-22(27)15-23-17-10-12-20(13-11-17)28-16(3)5-2/h6,8-14,16,23H,4-5,7,15H2,1-3H3,(H,24,26)(H,25,27).
What are the key properties of N-[3-[[2-(4-butan-2-yloxyanilino)acetyl]amino]phenyl]butanamide?
N-[3-[[2-(4-butan-2-yloxyanilino)acetyl]amino]phenyl]butanamide has a molecular weight of 383.49 g/mol, XLogP of 4.65, 10 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[2-(4-butan-2-yloxyanilino)acetyl]amino]phenyl]butanamide is sourced from PubChem (CID 54830125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).