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

C21H27N3O3 — CID 54830568

IUPAC2-methyl-N-[4-[[2-oxo-2-(3-propan-2-yloxyanilino)ethyl]amino]phenyl]propanamide
SMILESCC(C)Oc1cccc(NC(=O)CNc2ccc(NC(=O)C(C)C)cc2)c1
InChIInChI=1S/C21H27N3O3/c1-14(2)21(26)24-17-10-8-16(9-11-17)22-13-20(25)23-18-6-5-7-19(12-18)27-15(3)4/h5-12,14-15,22H,13H2,1-4H3,(H,23,25)(H,24,26)
InChIKeyVLFNAGSPKRTMOW-UHFFFAOYSA-N
MW369.47 g/mol
LogP4.12
Rot. Bonds8

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

2-methyl-N-[4-[[2-oxo-2-(3-propan-2-yloxyanilino)ethyl]amino]phenyl]propanamide (PubChem CID 54830568) has the molecular formula C21H27N3O3 and a molecular weight of 369.47 g/mol. Its IUPAC name is 2-methyl-N-[4-[[2-oxo-2-(3-propan-2-yloxyanilino)ethyl]amino]phenyl]propanamide.

Molecular Properties

Compound Name2-methyl-N-[4-[[2-oxo-2-(3-propan-2-yloxyanilino)ethyl]amino]phenyl]propanamide
PubChem CID54830568
Molecular FormulaC21H27N3O3
Molecular Weight369.47 g/mol
Exact Mass369.21
IUPAC Name2-methyl-N-[4-[[2-oxo-2-(3-propan-2-yloxyanilino)ethyl]amino]phenyl]propanamide
SMILESCC(C)Oc1cccc(NC(=O)CNc2ccc(NC(=O)C(C)C)cc2)c1
InChIInChI=1S/C21H27N3O3/c1-14(2)21(26)24-17-10-8-16(9-11-17)22-13-20(25)23-18-6-5-7-19(12-18)27-15(3)4/h5-12,14-15,22H,13H2,1-4H3,(H,23,25)(H,24,26)
InChIKeyVLFNAGSPKRTMOW-UHFFFAOYSA-N
XLogP4.12
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.47
LogP ≤ 54.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-[[2-(3-ethoxyanilino)-2-oxoethyl]amino]phenyl]-2-methylpropanamide
CID 54830764
2-(3-propan-2-yloxyanilino)-N-(4-propan-2-yloxyphenyl)acetamide
CID 54829870
2-methyl-N-[4-[[2-[3-(2-methylpropoxy)anilino]-2-oxoethyl]amino]phenyl]propanamide
CID 54830634
N-[4-[[2-oxo-2-(3-propan-2-yloxyanilino)ethyl]amino]phenyl]butanamide
CID 54836962
N-[3-[[2-(4-acetamidoanilino)acetyl]amino]phenyl]-2-methylpropanamide
CID 54809331
N-(4-chlorophenyl)-2-(3-propan-2-yloxyanilino)acetamide
CID 54829967
N-[4-[(2-anilino-2-oxoethyl)amino]phenyl]-2-methylpropanamide
CID 54830466
N-(4-ethoxyphenyl)-2-(3-propan-2-yloxyanilino)acetamide
CID 54830003
N-[3-[[2-(4-butan-2-yloxyanilino)-2-oxoethyl]amino]phenyl]-2-methylpropanamide
CID 54831493
2-methyl-N-[3-[[2-oxo-2-[4-(propanoylamino)anilino]ethyl]amino]phenyl]propanamide
CID 54831495
2-(3-chloroanilino)-N-(4-propan-2-yloxyphenyl)acetamide
CID 54809371
2-(3-propan-2-yloxyanilino)-N-(4-propoxyphenyl)acetamide
CID 54830279

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[4-[[2-oxo-2-(3-propan-2-yloxyanilino)ethyl]amino]phenyl]propanamide?
The IUPAC name of 2-methyl-N-[4-[[2-oxo-2-(3-propan-2-yloxyanilino)ethyl]amino]phenyl]propanamide (CID 54830568) is 2-methyl-N-[4-[[2-oxo-2-(3-propan-2-yloxyanilino)ethyl]amino]phenyl]propanamide.
What is the SMILES notation for 2-methyl-N-[4-[[2-oxo-2-(3-propan-2-yloxyanilino)ethyl]amino]phenyl]propanamide?
The canonical SMILES for 2-methyl-N-[4-[[2-oxo-2-(3-propan-2-yloxyanilino)ethyl]amino]phenyl]propanamide is CC(C)Oc1cccc(NC(=O)CNc2ccc(NC(=O)C(C)C)cc2)c1.
What is the InChIKey of 2-methyl-N-[4-[[2-oxo-2-(3-propan-2-yloxyanilino)ethyl]amino]phenyl]propanamide?
The InChIKey is VLFNAGSPKRTMOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O3/c1-14(2)21(26)24-17-10-8-16(9-11-17)22-13-20(25)23-18-6-5-7-19(12-18)27-15(3)4/h5-12,14-15,22H,13H2,1-4H3,(H,23,25)(H,24,26).
What are the key properties of 2-methyl-N-[4-[[2-oxo-2-(3-propan-2-yloxyanilino)ethyl]amino]phenyl]propanamide?
2-methyl-N-[4-[[2-oxo-2-(3-propan-2-yloxyanilino)ethyl]amino]phenyl]propanamide has a molecular weight of 369.47 g/mol, XLogP of 4.12, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[4-[[2-oxo-2-(3-propan-2-yloxyanilino)ethyl]amino]phenyl]propanamide is sourced from PubChem (CID 54830568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).