N-[4-[[2-[2-(2-methylpropoxy)anilino]acetyl]amino]phenyl]propanamide

C21H27N3O3 — CID 54823688

IUPACN-[4-[[2-[2-(2-methylpropoxy)anilino]acetyl]amino]phenyl]propanamide
SMILESCCC(=O)Nc1ccc(NC(=O)CNc2ccccc2OCC(C)C)cc1
InChIInChI=1S/C21H27N3O3/c1-4-20(25)23-16-9-11-17(12-10-16)24-21(26)13-22-18-7-5-6-8-19(18)27-14-15(2)3/h5-12,15,22H,4,13-14H2,1-3H3,(H,23,25)(H,24,26)
InChIKeyVZWBSLDGRAFETC-UHFFFAOYSA-N
MW369.47 g/mol
LogP4.12
Rot. Bonds9

About N-[4-[[2-[2-(2-methylpropoxy)anilino]acetyl]amino]phenyl]propanamide

N-[4-[[2-[2-(2-methylpropoxy)anilino]acetyl]amino]phenyl]propanamide (PubChem CID 54823688) has the molecular formula C21H27N3O3 and a molecular weight of 369.47 g/mol. Its IUPAC name is N-[4-[[2-[2-(2-methylpropoxy)anilino]acetyl]amino]phenyl]propanamide.

Molecular Properties

Compound NameN-[4-[[2-[2-(2-methylpropoxy)anilino]acetyl]amino]phenyl]propanamide
PubChem CID54823688
Molecular FormulaC21H27N3O3
Molecular Weight369.47 g/mol
Exact Mass369.21
IUPAC NameN-[4-[[2-[2-(2-methylpropoxy)anilino]acetyl]amino]phenyl]propanamide
SMILESCCC(=O)Nc1ccc(NC(=O)CNc2ccccc2OCC(C)C)cc1
InChIInChI=1S/C21H27N3O3/c1-4-20(25)23-16-9-11-17(12-10-16)24-21(26)13-22-18-7-5-6-8-19(18)27-14-15(2)3/h5-12,15,22H,4,13-14H2,1-3H3,(H,23,25)(H,24,26)
InChIKeyVZWBSLDGRAFETC-UHFFFAOYSA-N
XLogP4.12
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 ≤ 54.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-4-[[2-[2-(2-methylpropoxy)anilino]acetyl]amino]benzamide
CID 54823920
2-[2-(2-methylpropoxy)anilino]-N-(4-phenylmethoxyphenyl)acetamide
CID 54824046
2-(2-methoxyanilino)-N-[2-(2-methylpropoxy)phenyl]acetamide
CID 54817214
N-ethyl-4-[[2-[2-(2-methylpropoxy)anilino]acetyl]amino]-N-phenylbenzamide
CID 54823853
2-(3,4-dimethylanilino)-N-[2-(2-methylpropoxy)phenyl]acetamide
CID 54811574
2-(2,3-dimethylanilino)-N-[2-(2-methylpropoxy)phenyl]acetamide
CID 54815991
N-[3-(2-methoxyethoxy)phenyl]-2-[2-(2-methylpropoxy)anilino]acetamide
CID 54823718
2-(2-ethoxyanilino)-N-[4-(3-methylbutoxy)phenyl]acetamide
CID 54817368
2-(3,5-dichloroanilino)-N-[2-(2-methylpropoxy)phenyl]acetamide
CID 54813306
N-[4-(2-methylpropoxy)phenyl]-2-(naphthalen-1-ylamino)acetamide
CID 54809414
2-(3-chloro-2-methylanilino)-N-[2-(2-methylpropoxy)phenyl]acetamide
CID 54812960
N-[4-[[2-(2-methoxyanilino)acetyl]amino]phenyl]-3-methylbutanamide
CID 54817342

Frequently Asked Questions

What is the IUPAC name of N-[4-[[2-[2-(2-methylpropoxy)anilino]acetyl]amino]phenyl]propanamide?
The IUPAC name of N-[4-[[2-[2-(2-methylpropoxy)anilino]acetyl]amino]phenyl]propanamide (CID 54823688) is N-[4-[[2-[2-(2-methylpropoxy)anilino]acetyl]amino]phenyl]propanamide.
What is the SMILES notation for N-[4-[[2-[2-(2-methylpropoxy)anilino]acetyl]amino]phenyl]propanamide?
The canonical SMILES for N-[4-[[2-[2-(2-methylpropoxy)anilino]acetyl]amino]phenyl]propanamide is CCC(=O)Nc1ccc(NC(=O)CNc2ccccc2OCC(C)C)cc1.
What is the InChIKey of N-[4-[[2-[2-(2-methylpropoxy)anilino]acetyl]amino]phenyl]propanamide?
The InChIKey is VZWBSLDGRAFETC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O3/c1-4-20(25)23-16-9-11-17(12-10-16)24-21(26)13-22-18-7-5-6-8-19(18)27-14-15(2)3/h5-12,15,22H,4,13-14H2,1-3H3,(H,23,25)(H,24,26).
What are the key properties of N-[4-[[2-[2-(2-methylpropoxy)anilino]acetyl]amino]phenyl]propanamide?
N-[4-[[2-[2-(2-methylpropoxy)anilino]acetyl]amino]phenyl]propanamide has a molecular weight of 369.47 g/mol, XLogP of 4.12, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[2-[2-(2-methylpropoxy)anilino]acetyl]amino]phenyl]propanamide is sourced from PubChem (CID 54823688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).