N-[4-[[2-oxo-2-(3-propan-2-yloxyanilino)ethyl]amino]phenyl]butanamide

C21H27N3O3 — CID 54836962

IUPACN-[4-[[2-oxo-2-(3-propan-2-yloxyanilino)ethyl]amino]phenyl]butanamide
SMILESCCCC(=O)Nc1ccc(NCC(=O)Nc2cccc(OC(C)C)c2)cc1
InChIInChI=1S/C21H27N3O3/c1-4-6-20(25)23-17-11-9-16(10-12-17)22-14-21(26)24-18-7-5-8-19(13-18)27-15(2)3/h5,7-13,15,22H,4,6,14H2,1-3H3,(H,23,25)(H,24,26)
InChIKeyPWWNLFRIVJHMFP-UHFFFAOYSA-N
MW369.47 g/mol
LogP4.26
Rot. Bonds9

About N-[4-[[2-oxo-2-(3-propan-2-yloxyanilino)ethyl]amino]phenyl]butanamide

N-[4-[[2-oxo-2-(3-propan-2-yloxyanilino)ethyl]amino]phenyl]butanamide (PubChem CID 54836962) has the molecular formula C21H27N3O3 and a molecular weight of 369.47 g/mol. Its IUPAC name is N-[4-[[2-oxo-2-(3-propan-2-yloxyanilino)ethyl]amino]phenyl]butanamide.

Molecular Properties

Compound NameN-[4-[[2-oxo-2-(3-propan-2-yloxyanilino)ethyl]amino]phenyl]butanamide
PubChem CID54836962
Molecular FormulaC21H27N3O3
Molecular Weight369.47 g/mol
Exact Mass369.21
IUPAC NameN-[4-[[2-oxo-2-(3-propan-2-yloxyanilino)ethyl]amino]phenyl]butanamide
SMILESCCCC(=O)Nc1ccc(NCC(=O)Nc2cccc(OC(C)C)c2)cc1
InChIInChI=1S/C21H27N3O3/c1-4-6-20(25)23-17-11-9-16(10-12-17)22-14-21(26)24-18-7-5-8-19(13-18)27-15(2)3/h5,7-13,15,22H,4,6,14H2,1-3H3,(H,23,25)(H,24,26)
InChIKeyPWWNLFRIVJHMFP-UHFFFAOYSA-N
XLogP4.26
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.47
LogP ≤ 54.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-chloro-3-[[2-oxo-2-(3-propan-2-yloxyanilino)ethyl]amino]phenyl]butanamide
CID 54830982
2-(3-propan-2-yloxyanilino)-N-(4-propan-2-yloxyphenyl)acetamide
CID 54829870
2-methyl-N-[4-[[2-oxo-2-(3-propan-2-yloxyanilino)ethyl]amino]phenyl]propanamide
CID 54830568
N-[4-[[2-(3-butoxyanilino)-2-oxoethyl]amino]phenyl]butanamide
CID 54837051
N-[3-[[2-(4-butan-2-yloxyanilino)acetyl]amino]phenyl]butanamide
CID 54830125
2-(3-propan-2-yloxyanilino)-N-(4-propoxyphenyl)acetamide
CID 54830279
N-(4-ethoxyphenyl)-2-(3-propan-2-yloxyanilino)acetamide
CID 54830003
N-(4-chlorophenyl)-2-(3-propan-2-yloxyanilino)acetamide
CID 54829967
N-[3-[[2-(4-butan-2-yloxyanilino)-2-oxoethyl]amino]phenyl]butanamide
CID 54830461
N-[4-[[2-(3-butan-2-yloxyanilino)-2-oxoethyl]amino]phenyl]propanamide
CID 54835772
2-(3-heptoxyanilino)-N-(3-propan-2-yloxyphenyl)acetamide
CID 54828862
4-[[2-(3-propan-2-yloxyanilino)acetyl]amino]-N,N-dipropylbenzamide
CID 54830248

Frequently Asked Questions

What is the IUPAC name of N-[4-[[2-oxo-2-(3-propan-2-yloxyanilino)ethyl]amino]phenyl]butanamide?
The IUPAC name of N-[4-[[2-oxo-2-(3-propan-2-yloxyanilino)ethyl]amino]phenyl]butanamide (CID 54836962) is N-[4-[[2-oxo-2-(3-propan-2-yloxyanilino)ethyl]amino]phenyl]butanamide.
What is the SMILES notation for N-[4-[[2-oxo-2-(3-propan-2-yloxyanilino)ethyl]amino]phenyl]butanamide?
The canonical SMILES for N-[4-[[2-oxo-2-(3-propan-2-yloxyanilino)ethyl]amino]phenyl]butanamide is CCCC(=O)Nc1ccc(NCC(=O)Nc2cccc(OC(C)C)c2)cc1.
What is the InChIKey of N-[4-[[2-oxo-2-(3-propan-2-yloxyanilino)ethyl]amino]phenyl]butanamide?
The InChIKey is PWWNLFRIVJHMFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O3/c1-4-6-20(25)23-17-11-9-16(10-12-17)22-14-21(26)24-18-7-5-8-19(13-18)27-15(2)3/h5,7-13,15,22H,4,6,14H2,1-3H3,(H,23,25)(H,24,26).
What are the key properties of N-[4-[[2-oxo-2-(3-propan-2-yloxyanilino)ethyl]amino]phenyl]butanamide?
N-[4-[[2-oxo-2-(3-propan-2-yloxyanilino)ethyl]amino]phenyl]butanamide has a molecular weight of 369.47 g/mol, XLogP of 4.26, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[2-oxo-2-(3-propan-2-yloxyanilino)ethyl]amino]phenyl]butanamide is sourced from PubChem (CID 54836962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).