2,2-dimethyl-N-[3-[[2-oxo-2-(1-phenylpropylamino)ethyl]amino]phenyl]propanamide

C22H29N3O2 — CID 54835424

IUPAC2,2-dimethyl-N-[3-[[2-oxo-2-(1-phenylpropylamino)ethyl]amino]phenyl]propanamide
SMILESCCC(NC(=O)CNc1cccc(NC(=O)C(C)(C)C)c1)c1ccccc1
InChIInChI=1S/C22H29N3O2/c1-5-19(16-10-7-6-8-11-16)25-20(26)15-23-17-12-9-13-18(14-17)24-21(27)22(2,3)4/h6-14,19,23H,5,15H2,1-4H3,(H,24,27)(H,25,26)
InChIKeyAAISTIUKOMKLRF-UHFFFAOYSA-N
MW367.49 g/mol
LogP4.35
Rot. Bonds7

About 2,2-dimethyl-N-[3-[[2-oxo-2-(1-phenylpropylamino)ethyl]amino]phenyl]propanamide

2,2-dimethyl-N-[3-[[2-oxo-2-(1-phenylpropylamino)ethyl]amino]phenyl]propanamide (PubChem CID 54835424) has the molecular formula C22H29N3O2 and a molecular weight of 367.49 g/mol. Its IUPAC name is 2,2-dimethyl-N-[3-[[2-oxo-2-(1-phenylpropylamino)ethyl]amino]phenyl]propanamide.

Molecular Properties

Compound Name2,2-dimethyl-N-[3-[[2-oxo-2-(1-phenylpropylamino)ethyl]amino]phenyl]propanamide
PubChem CID54835424
Molecular FormulaC22H29N3O2
Molecular Weight367.49 g/mol
Exact Mass367.23
IUPAC Name2,2-dimethyl-N-[3-[[2-oxo-2-(1-phenylpropylamino)ethyl]amino]phenyl]propanamide
SMILESCCC(NC(=O)CNc1cccc(NC(=O)C(C)(C)C)c1)c1ccccc1
InChIInChI=1S/C22H29N3O2/c1-5-19(16-10-7-6-8-11-16)25-20(26)15-23-17-12-9-13-18(14-17)24-21(27)22(2,3)4/h6-14,19,23H,5,15H2,1-4H3,(H,24,27)(H,25,26)
InChIKeyAAISTIUKOMKLRF-UHFFFAOYSA-N
XLogP4.35
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 ≤ 54.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-chloroanilino)-N-(1-phenylpropyl)acetamide
CID 54809039
2-(naphthalen-2-ylamino)-N-(1-phenylpropyl)acetamide
CID 54839833
4-[[2-[3-(2,2-dimethylpropanoylamino)anilino]-2-oxoethyl]amino]-N-(1-phenylethyl)benzamide
CID 54846408
N-butan-2-yl-3-[[2-[3-(2,2-dimethylpropanoylamino)anilino]-2-oxoethyl]amino]benzamide
CID 54835251
N-butan-2-yl-3-[[2-[3-(2,2-dimethylpropanoylamino)anilino]acetyl]amino]benzamide
CID 54835547
2-(4-bromoanilino)-N-(1-phenylpropyl)acetamide
CID 54811171
2,2-dimethyl-N-[3-[[2-(naphthalen-2-ylamino)-2-oxoethyl]amino]phenyl]propanamide
CID 31761155
2-[3-(azepane-1-carbonyl)anilino]-N-(1-phenylpropyl)acetamide
CID 54841739
2,2-dimethyl-N-[3-[[2-[4-methyl-3-(propanoylamino)anilino]acetyl]amino]phenyl]propanamide
CID 54844972
N-[3-[[2-(diethylamino)-2-oxoethyl]amino]phenyl]-2,2-dimethylpropanamide
CID 54836795
N-[3-[[2-(3-chloro-4-fluoroanilino)acetyl]amino]phenyl]-2,2-dimethylpropanamide
CID 54818383
N-[3-[[2-(4-iodoanilino)acetyl]amino]phenyl]-2,2-dimethylpropanamide
CID 54812623

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-[3-[[2-oxo-2-(1-phenylpropylamino)ethyl]amino]phenyl]propanamide?
The IUPAC name of 2,2-dimethyl-N-[3-[[2-oxo-2-(1-phenylpropylamino)ethyl]amino]phenyl]propanamide (CID 54835424) is 2,2-dimethyl-N-[3-[[2-oxo-2-(1-phenylpropylamino)ethyl]amino]phenyl]propanamide.
What is the SMILES notation for 2,2-dimethyl-N-[3-[[2-oxo-2-(1-phenylpropylamino)ethyl]amino]phenyl]propanamide?
The canonical SMILES for 2,2-dimethyl-N-[3-[[2-oxo-2-(1-phenylpropylamino)ethyl]amino]phenyl]propanamide is CCC(NC(=O)CNc1cccc(NC(=O)C(C)(C)C)c1)c1ccccc1.
What is the InChIKey of 2,2-dimethyl-N-[3-[[2-oxo-2-(1-phenylpropylamino)ethyl]amino]phenyl]propanamide?
The InChIKey is AAISTIUKOMKLRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O2/c1-5-19(16-10-7-6-8-11-16)25-20(26)15-23-17-12-9-13-18(14-17)24-21(27)22(2,3)4/h6-14,19,23H,5,15H2,1-4H3,(H,24,27)(H,25,26).
What are the key properties of 2,2-dimethyl-N-[3-[[2-oxo-2-(1-phenylpropylamino)ethyl]amino]phenyl]propanamide?
2,2-dimethyl-N-[3-[[2-oxo-2-(1-phenylpropylamino)ethyl]amino]phenyl]propanamide has a molecular weight of 367.49 g/mol, XLogP of 4.35, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-[3-[[2-oxo-2-(1-phenylpropylamino)ethyl]amino]phenyl]propanamide is sourced from PubChem (CID 54835424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).