2,2-dimethyl-N-[3-[[2-(naphthalen-2-ylamino)-2-oxoethyl]amino]phenyl]propanamide

C23H25N3O2 — CID 31761155

IUPAC2,2-dimethyl-N-[3-[[2-(naphthalen-2-ylamino)-2-oxoethyl]amino]phenyl]propanamide
SMILESCC(C)(C)C(=O)Nc1cccc(NCC(=O)Nc2ccc3ccccc3c2)c1
InChIInChI=1S/C23H25N3O2/c1-23(2,3)22(28)26-19-10-6-9-18(14-19)24-15-21(27)25-20-12-11-16-7-4-5-8-17(16)13-20/h4-14,24H,15H2,1-3H3,(H,25,27)(H,26,28)
InChIKeyKFQDCEZLQZZRAC-UHFFFAOYSA-N
MW375.47 g/mol
LogP4.88
Rot. Bonds5

About 2,2-dimethyl-N-[3-[[2-(naphthalen-2-ylamino)-2-oxoethyl]amino]phenyl]propanamide

2,2-dimethyl-N-[3-[[2-(naphthalen-2-ylamino)-2-oxoethyl]amino]phenyl]propanamide (PubChem CID 31761155) has the molecular formula C23H25N3O2 and a molecular weight of 375.47 g/mol. Its IUPAC name is 2,2-dimethyl-N-[3-[[2-(naphthalen-2-ylamino)-2-oxoethyl]amino]phenyl]propanamide.

Molecular Properties

Compound Name2,2-dimethyl-N-[3-[[2-(naphthalen-2-ylamino)-2-oxoethyl]amino]phenyl]propanamide
PubChem CID31761155
Molecular FormulaC23H25N3O2
Molecular Weight375.47 g/mol
Exact Mass375.19
IUPAC Name2,2-dimethyl-N-[3-[[2-(naphthalen-2-ylamino)-2-oxoethyl]amino]phenyl]propanamide
SMILESCC(C)(C)C(=O)Nc1cccc(NCC(=O)Nc2ccc3ccccc3c2)c1
InChIInChI=1S/C23H25N3O2/c1-23(2,3)22(28)26-19-10-6-9-18(14-19)24-15-21(27)25-20-12-11-16-7-4-5-8-17(16)13-20/h4-14,24H,15H2,1-3H3,(H,25,27)(H,26,28)
InChIKeyKFQDCEZLQZZRAC-UHFFFAOYSA-N
XLogP4.88
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.47
LogP ≤ 54.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-[[2-(4-methoxyanilino)-2-oxoethyl]amino]phenyl]-2,2-dimethylpropanamide
CID 31760902
N-anthracen-2-yl-2,2-dimethylpropanamide
CID 19044653
N-(3-chlorophenyl)-2-(naphthalen-2-ylamino)acetamide
CID 9082694
N-[3-[[2-(4-iodoanilino)acetyl]amino]phenyl]-2,2-dimethylpropanamide
CID 54812623
N-[3-[[2-(3,5-dimethoxyanilino)-2-oxoethyl]amino]phenyl]-2,2-dimethylpropanamide
CID 31761319
N-[3-[[2-(3-chloro-4-fluoroanilino)acetyl]amino]phenyl]-2,2-dimethylpropanamide
CID 54818383
2,2-dimethyl-N-[3-[[2-[4-methyl-3-(propanoylamino)anilino]acetyl]amino]phenyl]propanamide
CID 54844972
N-(4-fluorophenyl)-2-(naphthalen-2-ylamino)acetamide
CID 9082682
N,N-dimethyl-3-[3-[[2-(naphthalen-2-ylamino)-2-oxoethyl]amino]phenyl]propanamide
CID 54845622
N-methyl-4-[[2-(naphthalen-2-ylamino)-2-oxoethyl]amino]benzamide
CID 54846158
2,2-dimethyl-N-[3-[[2-(2-methylphenyl)acetyl]amino]phenyl]propanamide
CID 26163504
N-[3-[[2-(2,5-dimethylanilino)acetyl]amino]phenyl]-2,2-dimethylpropanamide
CID 54812945

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-[3-[[2-(naphthalen-2-ylamino)-2-oxoethyl]amino]phenyl]propanamide?
The IUPAC name of 2,2-dimethyl-N-[3-[[2-(naphthalen-2-ylamino)-2-oxoethyl]amino]phenyl]propanamide (CID 31761155) is 2,2-dimethyl-N-[3-[[2-(naphthalen-2-ylamino)-2-oxoethyl]amino]phenyl]propanamide.
What is the SMILES notation for 2,2-dimethyl-N-[3-[[2-(naphthalen-2-ylamino)-2-oxoethyl]amino]phenyl]propanamide?
The canonical SMILES for 2,2-dimethyl-N-[3-[[2-(naphthalen-2-ylamino)-2-oxoethyl]amino]phenyl]propanamide is CC(C)(C)C(=O)Nc1cccc(NCC(=O)Nc2ccc3ccccc3c2)c1.
What is the InChIKey of 2,2-dimethyl-N-[3-[[2-(naphthalen-2-ylamino)-2-oxoethyl]amino]phenyl]propanamide?
The InChIKey is KFQDCEZLQZZRAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O2/c1-23(2,3)22(28)26-19-10-6-9-18(14-19)24-15-21(27)25-20-12-11-16-7-4-5-8-17(16)13-20/h4-14,24H,15H2,1-3H3,(H,25,27)(H,26,28).
What are the key properties of 2,2-dimethyl-N-[3-[[2-(naphthalen-2-ylamino)-2-oxoethyl]amino]phenyl]propanamide?
2,2-dimethyl-N-[3-[[2-(naphthalen-2-ylamino)-2-oxoethyl]amino]phenyl]propanamide has a molecular weight of 375.47 g/mol, XLogP of 4.88, 5 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-(naphthalen-2-ylamino)-2-oxoethyl]amino]phenyl]propanamide is sourced from PubChem (CID 31761155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).