N-[3-[[2-(2,5-dimethylanilino)acetyl]amino]phenyl]-2,2-dimethylpropanamide

C21H27N3O2 — CID 54812945

IUPACN-[3-[[2-(2,5-dimethylanilino)acetyl]amino]phenyl]-2,2-dimethylpropanamide
SMILESCc1ccc(C)c(NCC(=O)Nc2cccc(NC(=O)C(C)(C)C)c2)c1
InChIInChI=1S/C21H27N3O2/c1-14-9-10-15(2)18(11-14)22-13-19(25)23-16-7-6-8-17(12-16)24-20(26)21(3,4)5/h6-12,22H,13H2,1-5H3,(H,23,25)(H,24,26)
InChIKeySDHGPNVMJYDNSZ-UHFFFAOYSA-N
MW353.47 g/mol
LogP4.34
Rot. Bonds5

About N-[3-[[2-(2,5-dimethylanilino)acetyl]amino]phenyl]-2,2-dimethylpropanamide

N-[3-[[2-(2,5-dimethylanilino)acetyl]amino]phenyl]-2,2-dimethylpropanamide (PubChem CID 54812945) has the molecular formula C21H27N3O2 and a molecular weight of 353.47 g/mol. Its IUPAC name is N-[3-[[2-(2,5-dimethylanilino)acetyl]amino]phenyl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[3-[[2-(2,5-dimethylanilino)acetyl]amino]phenyl]-2,2-dimethylpropanamide
PubChem CID54812945
Molecular FormulaC21H27N3O2
Molecular Weight353.47 g/mol
Exact Mass353.21
IUPAC NameN-[3-[[2-(2,5-dimethylanilino)acetyl]amino]phenyl]-2,2-dimethylpropanamide
SMILESCc1ccc(C)c(NCC(=O)Nc2cccc(NC(=O)C(C)(C)C)c2)c1
InChIInChI=1S/C21H27N3O2/c1-14-9-10-15(2)18(11-14)22-13-19(25)23-16-7-6-8-17(12-16)24-20(26)21(3,4)5/h6-12,22H,13H2,1-5H3,(H,23,25)(H,24,26)
InChIKeySDHGPNVMJYDNSZ-UHFFFAOYSA-N
XLogP4.34
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.47
LogP ≤ 54.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2,2-dimethyl-N-[3-[[2-[4-methyl-3-(propanoylamino)anilino]acetyl]amino]phenyl]propanamide
CID 54844972
N-(2,5-dimethylphenyl)-3-(2,2-dimethylpropanoylamino)benzamide
CID 35184686
N-[3-[[2-(2,5-dichloroanilino)acetyl]amino]phenyl]-2,2-dimethylpropanamide
CID 54819617
2-(2,5-dimethylanilino)-N-(3-fluoro-4-methylphenyl)acetamide
CID 9079711
N-[3-[[2-(4-iodoanilino)acetyl]amino]phenyl]-2,2-dimethylpropanamide
CID 54812623
2-(5-cyano-2-methylanilino)-N-(3-methylphenyl)acetamide
CID 62060345
2,2-dimethyl-N-[3-[[2-(2-methylphenyl)acetyl]amino]phenyl]propanamide
CID 26163504
2,2-dimethyl-N-[3-[[2-(naphthalen-2-ylamino)-2-oxoethyl]amino]phenyl]propanamide
CID 31761155
N-[3-[[2-(5-chloro-2-methylanilino)acetyl]amino]phenyl]propanamide
CID 54819153
2-(2,5-dimethylanilino)-N-(2,4,6-trimethylphenyl)acetamide
CID 26415868
N-[3-[[2-(4-methoxyanilino)-2-oxoethyl]amino]phenyl]-2,2-dimethylpropanamide
CID 31760902
N-[3-[[2-(3,5-dimethoxyanilino)-2-oxoethyl]amino]phenyl]-2,2-dimethylpropanamide
CID 31761319

Frequently Asked Questions

What is the IUPAC name of N-[3-[[2-(2,5-dimethylanilino)acetyl]amino]phenyl]-2,2-dimethylpropanamide?
The IUPAC name of N-[3-[[2-(2,5-dimethylanilino)acetyl]amino]phenyl]-2,2-dimethylpropanamide (CID 54812945) is N-[3-[[2-(2,5-dimethylanilino)acetyl]amino]phenyl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[3-[[2-(2,5-dimethylanilino)acetyl]amino]phenyl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[3-[[2-(2,5-dimethylanilino)acetyl]amino]phenyl]-2,2-dimethylpropanamide is Cc1ccc(C)c(NCC(=O)Nc2cccc(NC(=O)C(C)(C)C)c2)c1.
What is the InChIKey of N-[3-[[2-(2,5-dimethylanilino)acetyl]amino]phenyl]-2,2-dimethylpropanamide?
The InChIKey is SDHGPNVMJYDNSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O2/c1-14-9-10-15(2)18(11-14)22-13-19(25)23-16-7-6-8-17(12-16)24-20(26)21(3,4)5/h6-12,22H,13H2,1-5H3,(H,23,25)(H,24,26).
What are the key properties of N-[3-[[2-(2,5-dimethylanilino)acetyl]amino]phenyl]-2,2-dimethylpropanamide?
N-[3-[[2-(2,5-dimethylanilino)acetyl]amino]phenyl]-2,2-dimethylpropanamide has a molecular weight of 353.47 g/mol, XLogP of 4.34, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[2-(2,5-dimethylanilino)acetyl]amino]phenyl]-2,2-dimethylpropanamide is sourced from PubChem (CID 54812945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).