N-[3-[[2-[2-methyl-3-(propanoylamino)anilino]-2-oxoethyl]amino]phenyl]butanamide

C22H28N4O3 — CID 54830788

IUPACN-[3-[[2-[2-methyl-3-(propanoylamino)anilino]-2-oxoethyl]amino]phenyl]butanamide
SMILESCCCC(=O)Nc1cccc(NCC(=O)Nc2cccc(NC(=O)CC)c2C)c1
InChIInChI=1S/C22H28N4O3/c1-4-8-21(28)24-17-10-6-9-16(13-17)23-14-22(29)26-19-12-7-11-18(15(19)3)25-20(27)5-2/h6-7,9-13,23H,4-5,8,14H2,1-3H3,(H,24,28)(H,25,27)(H,26,29)
InChIKeyFFMNUXUXYBQSBQ-UHFFFAOYSA-N
MW396.49 g/mol
LogP4.13
Rot. Bonds9

About N-[3-[[2-[2-methyl-3-(propanoylamino)anilino]-2-oxoethyl]amino]phenyl]butanamide

N-[3-[[2-[2-methyl-3-(propanoylamino)anilino]-2-oxoethyl]amino]phenyl]butanamide (PubChem CID 54830788) has the molecular formula C22H28N4O3 and a molecular weight of 396.49 g/mol. Its IUPAC name is N-[3-[[2-[2-methyl-3-(propanoylamino)anilino]-2-oxoethyl]amino]phenyl]butanamide.

Molecular Properties

Compound NameN-[3-[[2-[2-methyl-3-(propanoylamino)anilino]-2-oxoethyl]amino]phenyl]butanamide
PubChem CID54830788
Molecular FormulaC22H28N4O3
Molecular Weight396.49 g/mol
Exact Mass396.22
IUPAC NameN-[3-[[2-[2-methyl-3-(propanoylamino)anilino]-2-oxoethyl]amino]phenyl]butanamide
SMILESCCCC(=O)Nc1cccc(NCC(=O)Nc2cccc(NC(=O)CC)c2C)c1
InChIInChI=1S/C22H28N4O3/c1-4-8-21(28)24-17-10-6-9-16(13-17)23-14-22(29)26-19-12-7-11-18(15(19)3)25-20(27)5-2/h6-7,9-13,23H,4-5,8,14H2,1-3H3,(H,24,28)(H,25,27)(H,26,29)
InChIKeyFFMNUXUXYBQSBQ-UHFFFAOYSA-N
XLogP4.13
TPSA99.33 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.49
LogP ≤ 54.13
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-[[2-(3-acetamidoanilino)-2-oxoethyl]amino]-2-methylphenyl]propanamide
CID 54844990
N-[3-[[2-(2-chloroanilino)-2-oxoethyl]amino]phenyl]propanamide
CID 54833047
N-[3-[[2-(2,5-dichloroanilino)-2-oxoethyl]amino]phenyl]butanamide
CID 54830652
N-[3-[[2-[2-methyl-3-(propanoylamino)anilino]-2-oxoethyl]amino]phenyl]furan-2-carboxamide
CID 54843268
N-ethyl-3-[[2-[2-methyl-3-(propanoylamino)anilino]acetyl]amino]benzamide
CID 34078183
N-[3-[[2-[3-(butanoylamino)anilino]-2-oxoethyl]amino]phenyl]benzamide
CID 54839157
N-[2-methyl-3-[[2-(3-propan-2-yloxyanilino)acetyl]amino]phenyl]propanamide
CID 54830253
N-[3-[[2-(4-iodoanilino)acetyl]amino]phenyl]butanamide
CID 54812294
N-[5-[[2-(3-acetamidoanilino)acetyl]amino]-2-methylphenyl]propanamide
CID 54831751
3-[[2-[3-(butanoylamino)anilino]acetyl]amino]-N-propan-2-ylbenzamide
CID 54830817
N-[4-[[2-[2-methyl-3-(propanoylamino)anilino]-2-oxoethyl]amino]phenyl]-3-phenylpropanamide
CID 54839402
N-[3-[[2-(3,5-dimethylanilino)acetyl]amino]phenyl]propanamide
CID 54813237

Frequently Asked Questions

What is the IUPAC name of N-[3-[[2-[2-methyl-3-(propanoylamino)anilino]-2-oxoethyl]amino]phenyl]butanamide?
The IUPAC name of N-[3-[[2-[2-methyl-3-(propanoylamino)anilino]-2-oxoethyl]amino]phenyl]butanamide (CID 54830788) is N-[3-[[2-[2-methyl-3-(propanoylamino)anilino]-2-oxoethyl]amino]phenyl]butanamide.
What is the SMILES notation for N-[3-[[2-[2-methyl-3-(propanoylamino)anilino]-2-oxoethyl]amino]phenyl]butanamide?
The canonical SMILES for N-[3-[[2-[2-methyl-3-(propanoylamino)anilino]-2-oxoethyl]amino]phenyl]butanamide is CCCC(=O)Nc1cccc(NCC(=O)Nc2cccc(NC(=O)CC)c2C)c1.
What is the InChIKey of N-[3-[[2-[2-methyl-3-(propanoylamino)anilino]-2-oxoethyl]amino]phenyl]butanamide?
The InChIKey is FFMNUXUXYBQSBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N4O3/c1-4-8-21(28)24-17-10-6-9-16(13-17)23-14-22(29)26-19-12-7-11-18(15(19)3)25-20(27)5-2/h6-7,9-13,23H,4-5,8,14H2,1-3H3,(H,24,28)(H,25,27)(H,26,29).
What are the key properties of N-[3-[[2-[2-methyl-3-(propanoylamino)anilino]-2-oxoethyl]amino]phenyl]butanamide?
N-[3-[[2-[2-methyl-3-(propanoylamino)anilino]-2-oxoethyl]amino]phenyl]butanamide has a molecular weight of 396.49 g/mol, XLogP of 4.13, 9 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[2-[2-methyl-3-(propanoylamino)anilino]-2-oxoethyl]amino]phenyl]butanamide is sourced from PubChem (CID 54830788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).