N-[4-chloro-3-[[2-[3-(3-methylbutoxy)anilino]acetyl]amino]phenyl]butanamide

C23H30ClN3O3 — CID 54824232

IUPACN-[4-chloro-3-[[2-[3-(3-methylbutoxy)anilino]acetyl]amino]phenyl]butanamide
SMILESCCCC(=O)Nc1ccc(Cl)c(NC(=O)CNc2cccc(OCCC(C)C)c2)c1
InChIInChI=1S/C23H30ClN3O3/c1-4-6-22(28)26-18-9-10-20(24)21(14-18)27-23(29)15-25-17-7-5-8-19(13-17)30-12-11-16(2)3/h5,7-10,13-14,16,25H,4,6,11-12,15H2,1-3H3,(H,26,28)(H,27,29)
InChIKeyCZUNWKXGVHMDLG-UHFFFAOYSA-N
MW431.96 g/mol
LogP5.55
Rot. Bonds11

About N-[4-chloro-3-[[2-[3-(3-methylbutoxy)anilino]acetyl]amino]phenyl]butanamide

N-[4-chloro-3-[[2-[3-(3-methylbutoxy)anilino]acetyl]amino]phenyl]butanamide (PubChem CID 54824232) has the molecular formula C23H30ClN3O3 and a molecular weight of 431.96 g/mol. Its IUPAC name is N-[4-chloro-3-[[2-[3-(3-methylbutoxy)anilino]acetyl]amino]phenyl]butanamide.

Molecular Properties

Compound NameN-[4-chloro-3-[[2-[3-(3-methylbutoxy)anilino]acetyl]amino]phenyl]butanamide
PubChem CID54824232
Molecular FormulaC23H30ClN3O3
Molecular Weight431.96 g/mol
Exact Mass431.20
IUPAC NameN-[4-chloro-3-[[2-[3-(3-methylbutoxy)anilino]acetyl]amino]phenyl]butanamide
SMILESCCCC(=O)Nc1ccc(Cl)c(NC(=O)CNc2cccc(OCCC(C)C)c2)c1
InChIInChI=1S/C23H30ClN3O3/c1-4-6-22(28)26-18-9-10-20(24)21(14-18)27-23(29)15-25-17-7-5-8-19(13-17)30-12-11-16(2)3/h5,7-10,13-14,16,25H,4,6,11-12,15H2,1-3H3,(H,26,28)(H,27,29)
InChIKeyCZUNWKXGVHMDLG-UHFFFAOYSA-N
XLogP5.55
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.96
LogP ≤ 55.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3,4-dichloroanilino)-N-[3-(3-methylbutoxy)phenyl]acetamide
CID 54811762
N-(2-chlorophenyl)-2-[3-(3-methylbutoxy)anilino]acetamide
CID 54825073
N-(3-butoxyphenyl)-2-[3-(3-methylbutoxy)anilino]acetamide
CID 54824740
2-(2-chloroanilino)-N-[3-(3-methylbutoxy)phenyl]acetamide
CID 54810371
N-[4-chloro-3-[[2-oxo-2-(3-propan-2-yloxyanilino)ethyl]amino]phenyl]butanamide
CID 54830982
N-(4-butoxyphenyl)-2-[3-(3-methylbutoxy)anilino]acetamide
CID 54824951
N-[3-[[2-(3-bromoanilino)acetyl]amino]-4-chlorophenyl]butanamide
CID 54840369
N-[4-[[2-[5-(butanoylamino)-2-chloroanilino]-2-oxoethyl]amino]phenyl]-3-methylbutanamide
CID 54831817
N-(4-bromophenyl)-2-[3-(3-methylbutoxy)anilino]acetamide
CID 54825133
N-[3-[[2-[3-(3-methylbutoxy)anilino]-2-oxoethyl]amino]phenyl]-3-phenylpropanamide
CID 54837285
N-ethyl-4-[[2-[3-(3-methylbutoxy)anilino]-2-oxoethyl]amino]benzamide
CID 54839290
N-[3-[[2-[3-(2-methoxyethoxy)anilino]-2-oxoethyl]amino]phenyl]butanamide
CID 54830494

Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-3-[[2-[3-(3-methylbutoxy)anilino]acetyl]amino]phenyl]butanamide?
The IUPAC name of N-[4-chloro-3-[[2-[3-(3-methylbutoxy)anilino]acetyl]amino]phenyl]butanamide (CID 54824232) is N-[4-chloro-3-[[2-[3-(3-methylbutoxy)anilino]acetyl]amino]phenyl]butanamide.
What is the SMILES notation for N-[4-chloro-3-[[2-[3-(3-methylbutoxy)anilino]acetyl]amino]phenyl]butanamide?
The canonical SMILES for N-[4-chloro-3-[[2-[3-(3-methylbutoxy)anilino]acetyl]amino]phenyl]butanamide is CCCC(=O)Nc1ccc(Cl)c(NC(=O)CNc2cccc(OCCC(C)C)c2)c1.
What is the InChIKey of N-[4-chloro-3-[[2-[3-(3-methylbutoxy)anilino]acetyl]amino]phenyl]butanamide?
The InChIKey is CZUNWKXGVHMDLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30ClN3O3/c1-4-6-22(28)26-18-9-10-20(24)21(14-18)27-23(29)15-25-17-7-5-8-19(13-17)30-12-11-16(2)3/h5,7-10,13-14,16,25H,4,6,11-12,15H2,1-3H3,(H,26,28)(H,27,29).
What are the key properties of N-[4-chloro-3-[[2-[3-(3-methylbutoxy)anilino]acetyl]amino]phenyl]butanamide?
N-[4-chloro-3-[[2-[3-(3-methylbutoxy)anilino]acetyl]amino]phenyl]butanamide has a molecular weight of 431.96 g/mol, XLogP of 5.55, 11 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-3-[[2-[3-(3-methylbutoxy)anilino]acetyl]amino]phenyl]butanamide is sourced from PubChem (CID 54824232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).