N-[2-methyl-3-[[2-[3-(2-methylpropoxy)anilino]acetyl]amino]phenyl]propanamide

C22H29N3O3 — CID 54823522

IUPACN-[2-methyl-3-[[2-[3-(2-methylpropoxy)anilino]acetyl]amino]phenyl]propanamide
SMILESCCC(=O)Nc1cccc(NC(=O)CNc2cccc(OCC(C)C)c2)c1C
InChIInChI=1S/C22H29N3O3/c1-5-21(26)24-19-10-7-11-20(16(19)4)25-22(27)13-23-17-8-6-9-18(12-17)28-14-15(2)3/h6-12,15,23H,5,13-14H2,1-4H3,(H,24,26)(H,25,27)
InChIKeyTXBTWVKUJAUNIW-UHFFFAOYSA-N
MW383.49 g/mol
LogP4.43
Rot. Bonds9

About N-[2-methyl-3-[[2-[3-(2-methylpropoxy)anilino]acetyl]amino]phenyl]propanamide

N-[2-methyl-3-[[2-[3-(2-methylpropoxy)anilino]acetyl]amino]phenyl]propanamide (PubChem CID 54823522) has the molecular formula C22H29N3O3 and a molecular weight of 383.49 g/mol. Its IUPAC name is N-[2-methyl-3-[[2-[3-(2-methylpropoxy)anilino]acetyl]amino]phenyl]propanamide.

Molecular Properties

Compound NameN-[2-methyl-3-[[2-[3-(2-methylpropoxy)anilino]acetyl]amino]phenyl]propanamide
PubChem CID54823522
Molecular FormulaC22H29N3O3
Molecular Weight383.49 g/mol
Exact Mass383.22
IUPAC NameN-[2-methyl-3-[[2-[3-(2-methylpropoxy)anilino]acetyl]amino]phenyl]propanamide
SMILESCCC(=O)Nc1cccc(NC(=O)CNc2cccc(OCC(C)C)c2)c1C
InChIInChI=1S/C22H29N3O3/c1-5-21(26)24-19-10-7-11-20(16(19)4)25-22(27)13-23-17-8-6-9-18(12-17)28-14-15(2)3/h6-12,15,23H,5,13-14H2,1-4H3,(H,24,26)(H,25,27)
InChIKeyTXBTWVKUJAUNIW-UHFFFAOYSA-N
XLogP4.43
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.49
LogP ≤ 54.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-chloro-2-methylphenyl)-2-[3-(2-methylpropoxy)anilino]acetamide
CID 54823958
N-[2-methyl-3-[[2-(3-propan-2-yloxyanilino)acetyl]amino]phenyl]propanamide
CID 54830253
N-(2-methoxyphenyl)-2-[3-(2-methylpropoxy)anilino]acetamide
CID 54823826
2-(3-ethoxyanilino)-N-[3-(2-methylpropoxy)phenyl]acetamide
CID 54826384
N-[2-methyl-3-[[2-[3-(3-methylbutoxy)anilino]-2-oxoethyl]amino]phenyl]propanamide
CID 54844927
2-(3-acetamidoanilino)-N-[3-(2-methylpropoxy)phenyl]acetamide
CID 54831499
2-anilino-N-[3-(2-methylpropoxy)phenyl]acetamide
CID 54810289
N-(2-ethyl-6-methylphenyl)-2-[3-(2-methylpropoxy)anilino]acetamide
CID 54823992
2-(3-butoxyanilino)-N-[4-(2-methylpropoxy)phenyl]acetamide
CID 54824959
3-[[2-[3-(2-methylpropoxy)anilino]acetyl]amino]benzamide
CID 54823168
2-(2-bromoanilino)-N-[3-(2-methylpropoxy)phenyl]acetamide
CID 54816652
2-(3-heptoxyanilino)-N-[4-(2-methylpropoxy)phenyl]acetamide
CID 54829257

Frequently Asked Questions

What is the IUPAC name of N-[2-methyl-3-[[2-[3-(2-methylpropoxy)anilino]acetyl]amino]phenyl]propanamide?
The IUPAC name of N-[2-methyl-3-[[2-[3-(2-methylpropoxy)anilino]acetyl]amino]phenyl]propanamide (CID 54823522) is N-[2-methyl-3-[[2-[3-(2-methylpropoxy)anilino]acetyl]amino]phenyl]propanamide.
What is the SMILES notation for N-[2-methyl-3-[[2-[3-(2-methylpropoxy)anilino]acetyl]amino]phenyl]propanamide?
The canonical SMILES for N-[2-methyl-3-[[2-[3-(2-methylpropoxy)anilino]acetyl]amino]phenyl]propanamide is CCC(=O)Nc1cccc(NC(=O)CNc2cccc(OCC(C)C)c2)c1C.
What is the InChIKey of N-[2-methyl-3-[[2-[3-(2-methylpropoxy)anilino]acetyl]amino]phenyl]propanamide?
The InChIKey is TXBTWVKUJAUNIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O3/c1-5-21(26)24-19-10-7-11-20(16(19)4)25-22(27)13-23-17-8-6-9-18(12-17)28-14-15(2)3/h6-12,15,23H,5,13-14H2,1-4H3,(H,24,26)(H,25,27).
What are the key properties of N-[2-methyl-3-[[2-[3-(2-methylpropoxy)anilino]acetyl]amino]phenyl]propanamide?
N-[2-methyl-3-[[2-[3-(2-methylpropoxy)anilino]acetyl]amino]phenyl]propanamide has a molecular weight of 383.49 g/mol, XLogP of 4.43, 9 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-(2-methylpropoxy)anilino]acetyl]amino]phenyl]propanamide is sourced from PubChem (CID 54823522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).