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

C26H29N3O3 — CID 54835482

IUPAC2,2-dimethyl-N-[3-[[2-oxo-2-(2-phenylmethoxyanilino)ethyl]amino]phenyl]propanamide
SMILESCC(C)(C)C(=O)Nc1cccc(NCC(=O)Nc2ccccc2OCc2ccccc2)c1
InChIInChI=1S/C26H29N3O3/c1-26(2,3)25(31)28-21-13-9-12-20(16-21)27-17-24(30)29-22-14-7-8-15-23(22)32-18-19-10-5-4-6-11-19/h4-16,27H,17-18H2,1-3H3,(H,28,31)(H,29,30)
InChIKeyFNMRINFEZNYSCJ-UHFFFAOYSA-N
MW431.54 g/mol
LogP5.30
Rot. Bonds8

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

2,2-dimethyl-N-[3-[[2-oxo-2-(2-phenylmethoxyanilino)ethyl]amino]phenyl]propanamide (PubChem CID 54835482) has the molecular formula C26H29N3O3 and a molecular weight of 431.54 g/mol. Its IUPAC name is 2,2-dimethyl-N-[3-[[2-oxo-2-(2-phenylmethoxyanilino)ethyl]amino]phenyl]propanamide.

Molecular Properties

Compound Name2,2-dimethyl-N-[3-[[2-oxo-2-(2-phenylmethoxyanilino)ethyl]amino]phenyl]propanamide
PubChem CID54835482
Molecular FormulaC26H29N3O3
Molecular Weight431.54 g/mol
Exact Mass431.22
IUPAC Name2,2-dimethyl-N-[3-[[2-oxo-2-(2-phenylmethoxyanilino)ethyl]amino]phenyl]propanamide
SMILESCC(C)(C)C(=O)Nc1cccc(NCC(=O)Nc2ccccc2OCc2ccccc2)c1
InChIInChI=1S/C26H29N3O3/c1-26(2,3)25(31)28-21-13-9-12-20(16-21)27-17-24(30)29-22-14-7-8-15-23(22)32-18-19-10-5-4-6-11-19/h4-16,27H,17-18H2,1-3H3,(H,28,31)(H,29,30)
InChIKeyFNMRINFEZNYSCJ-UHFFFAOYSA-N
XLogP5.30
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.54
LogP ≤ 55.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-acetamidoanilino)-N-(2-phenylmethoxyphenyl)acetamide
CID 54831747
N-(2-phenylmethoxyphenyl)-2-(3-prop-2-enoxyanilino)acetamide
CID 54826275
2-(3-hexoxyanilino)-N-(2-phenylmethoxyphenyl)acetamide
CID 54823573
N-(3-methoxyphenyl)-2-(2-phenylmethoxyanilino)acetamide
CID 54827854
N-[2-(2-methylprop-2-enoxy)phenyl]-2-(3-phenylmethoxyanilino)acetamide
CID 54826701
N-[3-[[2-(2-phenylmethoxyanilino)acetyl]amino]phenyl]hexanamide
CID 54828090
N-(2-phenylmethoxyphenyl)-2-[3-(piperidine-1-carbonyl)anilino]acetamide
CID 54843435
N-cyclohexyl-3-[[2-oxo-2-(2-phenylmethoxyanilino)ethyl]amino]benzamide
CID 54830968
N-(2-phenylmethoxyphenyl)-2-(2-propan-2-yloxyanilino)acetamide
CID 54828582
3-[[2-(2-phenylmethoxyanilino)acetyl]amino]-N-propan-2-ylbenzamide
CID 54827989
N-(2,6-dimethylphenyl)-2-(2-phenylmethoxyanilino)acetamide
CID 54827756
2-(ethylamino)-N-(2-phenylmethoxyphenyl)acetamide
CID 54820872

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-[3-[[2-oxo-2-(2-phenylmethoxyanilino)ethyl]amino]phenyl]propanamide?
The IUPAC name of 2,2-dimethyl-N-[3-[[2-oxo-2-(2-phenylmethoxyanilino)ethyl]amino]phenyl]propanamide (CID 54835482) is 2,2-dimethyl-N-[3-[[2-oxo-2-(2-phenylmethoxyanilino)ethyl]amino]phenyl]propanamide.
What is the SMILES notation for 2,2-dimethyl-N-[3-[[2-oxo-2-(2-phenylmethoxyanilino)ethyl]amino]phenyl]propanamide?
The canonical SMILES for 2,2-dimethyl-N-[3-[[2-oxo-2-(2-phenylmethoxyanilino)ethyl]amino]phenyl]propanamide is CC(C)(C)C(=O)Nc1cccc(NCC(=O)Nc2ccccc2OCc2ccccc2)c1.
What is the InChIKey of 2,2-dimethyl-N-[3-[[2-oxo-2-(2-phenylmethoxyanilino)ethyl]amino]phenyl]propanamide?
The InChIKey is FNMRINFEZNYSCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N3O3/c1-26(2,3)25(31)28-21-13-9-12-20(16-21)27-17-24(30)29-22-14-7-8-15-23(22)32-18-19-10-5-4-6-11-19/h4-16,27H,17-18H2,1-3H3,(H,28,31)(H,29,30).
What are the key properties of 2,2-dimethyl-N-[3-[[2-oxo-2-(2-phenylmethoxyanilino)ethyl]amino]phenyl]propanamide?
2,2-dimethyl-N-[3-[[2-oxo-2-(2-phenylmethoxyanilino)ethyl]amino]phenyl]propanamide has a molecular weight of 431.54 g/mol, XLogP of 5.30, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-[3-[[2-oxo-2-(2-phenylmethoxyanilino)ethyl]amino]phenyl]propanamide is sourced from PubChem (CID 54835482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).