N-[4-[[1-(2,6-dimethylanilino)-1-oxopropan-2-yl]amino]phenyl]-3-methylbutanamide

C22H29N3O2 — CID 55545093

IUPACN-[4-[[1-(2,6-dimethylanilino)-1-oxopropan-2-yl]amino]phenyl]-3-methylbutanamide
SMILESCc1cccc(C)c1NC(=O)C(C)Nc1ccc(NC(=O)CC(C)C)cc1
InChIInChI=1S/C22H29N3O2/c1-14(2)13-20(26)24-19-11-9-18(10-12-19)23-17(5)22(27)25-21-15(3)7-6-8-16(21)4/h6-12,14,17,23H,13H2,1-5H3,(H,24,26)(H,25,27)
InChIKeyDHMPORJGMXSFAS-UHFFFAOYSA-N
MW367.49 g/mol
LogP4.73
Rot. Bonds7

About N-[4-[[1-(2,6-dimethylanilino)-1-oxopropan-2-yl]amino]phenyl]-3-methylbutanamide

N-[4-[[1-(2,6-dimethylanilino)-1-oxopropan-2-yl]amino]phenyl]-3-methylbutanamide (PubChem CID 55545093) has the molecular formula C22H29N3O2 and a molecular weight of 367.49 g/mol. Its IUPAC name is N-[4-[[1-(2,6-dimethylanilino)-1-oxopropan-2-yl]amino]phenyl]-3-methylbutanamide.

Molecular Properties

Compound NameN-[4-[[1-(2,6-dimethylanilino)-1-oxopropan-2-yl]amino]phenyl]-3-methylbutanamide
PubChem CID55545093
Molecular FormulaC22H29N3O2
Molecular Weight367.49 g/mol
Exact Mass367.23
IUPAC NameN-[4-[[1-(2,6-dimethylanilino)-1-oxopropan-2-yl]amino]phenyl]-3-methylbutanamide
SMILESCc1cccc(C)c1NC(=O)C(C)Nc1ccc(NC(=O)CC(C)C)cc1
InChIInChI=1S/C22H29N3O2/c1-14(2)13-20(26)24-19-11-9-18(10-12-19)23-17(5)22(27)25-21-15(3)7-6-8-16(21)4/h6-12,14,17,23H,13H2,1-5H3,(H,24,26)(H,25,27)
InChIKeyDHMPORJGMXSFAS-UHFFFAOYSA-N
XLogP4.73
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.49
LogP ≤ 54.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze N-[4-[[1-(2,6-dimethylanilino)-1-oxopropan-2-yl]amino]phenyl]-3-methylbutanamide with MolForge

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Related Compounds

ethyl (2R)-2-[4-(3-methylbutanoylamino)anilino]propanoate
CID 95628149
N-(2,6-dimethylphenyl)-2-(3-iodoanilino)propanamide
CID 134041322
2-anilino-N-(2,4,6-trimethylphenyl)propanamide
CID 78666778
N-(4-hydroxyphenyl)-3-methylbutanamide
CID 836029
3-methyl-N-[4-(methylamino)phenyl]butanamide
CID 63090374
3-methyl-N-[4-(phenylcarbamoylamino)phenyl]butanamide
CID 17193970
4-amino-3-methyl-N-[4-(3-methylbutanoylamino)phenyl]butanamide
CID 81084171
3-methyl-N-(4-phenyldiazenylphenyl)butanamide
CID 4650351
2-[4-(2-cyanophenoxy)anilino]-N-(2,6-dimethylphenyl)propanamide
CID 47486358
2-[3-(2-amino-2-oxoethoxy)-4-methoxyanilino]-N-(2,6-dimethylphenyl)propanamide
CID 47065312
N-(2,6-dimethylphenyl)-2-methylpropanamide;yttrium
CID 158388394
5-(2,6-dimethylanilino)-3-methyl-5-oxopentanoic acid
CID 62964697

Frequently Asked Questions

What is the IUPAC name of N-[4-[[1-(2,6-dimethylanilino)-1-oxopropan-2-yl]amino]phenyl]-3-methylbutanamide?
The IUPAC name of N-[4-[[1-(2,6-dimethylanilino)-1-oxopropan-2-yl]amino]phenyl]-3-methylbutanamide (CID 55545093) is N-[4-[[1-(2,6-dimethylanilino)-1-oxopropan-2-yl]amino]phenyl]-3-methylbutanamide.
What is the SMILES notation for N-[4-[[1-(2,6-dimethylanilino)-1-oxopropan-2-yl]amino]phenyl]-3-methylbutanamide?
The canonical SMILES for N-[4-[[1-(2,6-dimethylanilino)-1-oxopropan-2-yl]amino]phenyl]-3-methylbutanamide is Cc1cccc(C)c1NC(=O)C(C)Nc1ccc(NC(=O)CC(C)C)cc1.
What is the InChIKey of N-[4-[[1-(2,6-dimethylanilino)-1-oxopropan-2-yl]amino]phenyl]-3-methylbutanamide?
The InChIKey is DHMPORJGMXSFAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O2/c1-14(2)13-20(26)24-19-11-9-18(10-12-19)23-17(5)22(27)25-21-15(3)7-6-8-16(21)4/h6-12,14,17,23H,13H2,1-5H3,(H,24,26)(H,25,27).
What are the key properties of N-[4-[[1-(2,6-dimethylanilino)-1-oxopropan-2-yl]amino]phenyl]-3-methylbutanamide?
N-[4-[[1-(2,6-dimethylanilino)-1-oxopropan-2-yl]amino]phenyl]-3-methylbutanamide has a molecular weight of 367.49 g/mol, XLogP of 4.73, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[1-(2,6-dimethylanilino)-1-oxopropan-2-yl]amino]phenyl]-3-methylbutanamide is sourced from PubChem (CID 55545093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).