N-[2-methyl-3-[[2-(3-propan-2-yloxyanilino)acetyl]amino]phenyl]propanamide

C21H27N3O3 — CID 54830253

IUPACN-[2-methyl-3-[[2-(3-propan-2-yloxyanilino)acetyl]amino]phenyl]propanamide
SMILESCCC(=O)Nc1cccc(NC(=O)CNc2cccc(OC(C)C)c2)c1C
InChIInChI=1S/C21H27N3O3/c1-5-20(25)23-18-10-7-11-19(15(18)4)24-21(26)13-22-16-8-6-9-17(12-16)27-14(2)3/h6-12,14,22H,5,13H2,1-4H3,(H,23,25)(H,24,26)
InChIKeyGLHUPRRRPDDNQO-UHFFFAOYSA-N
MW369.47 g/mol
LogP4.18
Rot. Bonds8

About N-[2-methyl-3-[[2-(3-propan-2-yloxyanilino)acetyl]amino]phenyl]propanamide

N-[2-methyl-3-[[2-(3-propan-2-yloxyanilino)acetyl]amino]phenyl]propanamide (PubChem CID 54830253) has the molecular formula C21H27N3O3 and a molecular weight of 369.47 g/mol. Its IUPAC name is N-[2-methyl-3-[[2-(3-propan-2-yloxyanilino)acetyl]amino]phenyl]propanamide.

Molecular Properties

Compound NameN-[2-methyl-3-[[2-(3-propan-2-yloxyanilino)acetyl]amino]phenyl]propanamide
PubChem CID54830253
Molecular FormulaC21H27N3O3
Molecular Weight369.47 g/mol
Exact Mass369.21
IUPAC NameN-[2-methyl-3-[[2-(3-propan-2-yloxyanilino)acetyl]amino]phenyl]propanamide
SMILESCCC(=O)Nc1cccc(NC(=O)CNc2cccc(OC(C)C)c2)c1C
InChIInChI=1S/C21H27N3O3/c1-5-20(25)23-18-10-7-11-19(15(18)4)24-21(26)13-22-16-8-6-9-17(12-16)27-14(2)3/h6-12,14,22H,5,13H2,1-4H3,(H,23,25)(H,24,26)
InChIKeyGLHUPRRRPDDNQO-UHFFFAOYSA-N
XLogP4.18
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 ≤ 54.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-methyl-3-[[2-[3-(2-methylpropoxy)anilino]acetyl]amino]phenyl]propanamide
CID 54823522
N-(3-chloro-2-methylphenyl)-2-(3-propan-2-yloxyanilino)acetamide
CID 54830208
2-(3-propan-2-yloxyanilino)-N-(4-propan-2-yloxyphenyl)acetamide
CID 54829870
2-(3-propan-2-yloxyanilino)-N-(2,4,5-trichlorophenyl)acetamide
CID 54829901
N-[2-methyl-3-[[2-[3-(3-methylbutoxy)anilino]-2-oxoethyl]amino]phenyl]propanamide
CID 54844927
N-(4-ethoxyphenyl)-2-(3-propan-2-yloxyanilino)acetamide
CID 54830003
N-[4-[[2-(3-butan-2-yloxyanilino)-2-oxoethyl]amino]phenyl]propanamide
CID 54835772
N-[3-[[2-[2-methyl-3-(propanoylamino)anilino]-2-oxoethyl]amino]phenyl]butanamide
CID 54830788
N-(4-chlorophenyl)-2-(3-propan-2-yloxyanilino)acetamide
CID 54829967
methyl 2-(3-propan-2-yloxyanilino)acetate
CID 19829935
N-[4-[[2-oxo-2-(3-propan-2-yloxyanilino)ethyl]amino]phenyl]butanamide
CID 54836962
2-(3-propan-2-yloxyanilino)-N-(4-propoxyphenyl)acetamide
CID 54830279

Frequently Asked Questions

What is the IUPAC name of N-[2-methyl-3-[[2-(3-propan-2-yloxyanilino)acetyl]amino]phenyl]propanamide?
The IUPAC name of N-[2-methyl-3-[[2-(3-propan-2-yloxyanilino)acetyl]amino]phenyl]propanamide (CID 54830253) is N-[2-methyl-3-[[2-(3-propan-2-yloxyanilino)acetyl]amino]phenyl]propanamide.
What is the SMILES notation for N-[2-methyl-3-[[2-(3-propan-2-yloxyanilino)acetyl]amino]phenyl]propanamide?
The canonical SMILES for N-[2-methyl-3-[[2-(3-propan-2-yloxyanilino)acetyl]amino]phenyl]propanamide is CCC(=O)Nc1cccc(NC(=O)CNc2cccc(OC(C)C)c2)c1C.
What is the InChIKey of N-[2-methyl-3-[[2-(3-propan-2-yloxyanilino)acetyl]amino]phenyl]propanamide?
The InChIKey is GLHUPRRRPDDNQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O3/c1-5-20(25)23-18-10-7-11-19(15(18)4)24-21(26)13-22-16-8-6-9-17(12-16)27-14(2)3/h6-12,14,22H,5,13H2,1-4H3,(H,23,25)(H,24,26).
What are the key properties of N-[2-methyl-3-[[2-(3-propan-2-yloxyanilino)acetyl]amino]phenyl]propanamide?
N-[2-methyl-3-[[2-(3-propan-2-yloxyanilino)acetyl]amino]phenyl]propanamide has a molecular weight of 369.47 g/mol, XLogP of 4.18, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methyl-3-[[2-(3-propan-2-yloxyanilino)acetyl]amino]phenyl]propanamide is sourced from PubChem (CID 54830253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).