N-[3-[[(4-ethoxyphenyl)-phenylmethyl]amino]-3-oxopropyl]-2,2-dimethylpropanamide

C23H30N2O3 — CID 55675013

IUPACN-[3-[[(4-ethoxyphenyl)-phenylmethyl]amino]-3-oxopropyl]-2,2-dimethylpropanamide
SMILESCCOc1ccc(C(NC(=O)CCNC(=O)C(C)(C)C)c2ccccc2)cc1
InChIInChI=1S/C23H30N2O3/c1-5-28-19-13-11-18(12-14-19)21(17-9-7-6-8-10-17)25-20(26)15-16-24-22(27)23(2,3)4/h6-14,21H,5,15-16H2,1-4H3,(H,24,27)(H,25,26)
InChIKeyWYKOWUQQTZABFB-UHFFFAOYSA-N
MW382.50 g/mol
LogP3.84
Rot. Bonds8

About N-[3-[[(4-ethoxyphenyl)-phenylmethyl]amino]-3-oxopropyl]-2,2-dimethylpropanamide

N-[3-[[(4-ethoxyphenyl)-phenylmethyl]amino]-3-oxopropyl]-2,2-dimethylpropanamide (PubChem CID 55675013) has the molecular formula C23H30N2O3 and a molecular weight of 382.50 g/mol. Its IUPAC name is N-[3-[[(4-ethoxyphenyl)-phenylmethyl]amino]-3-oxopropyl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[3-[[(4-ethoxyphenyl)-phenylmethyl]amino]-3-oxopropyl]-2,2-dimethylpropanamide
PubChem CID55675013
Molecular FormulaC23H30N2O3
Molecular Weight382.50 g/mol
Exact Mass382.23
IUPAC NameN-[3-[[(4-ethoxyphenyl)-phenylmethyl]amino]-3-oxopropyl]-2,2-dimethylpropanamide
SMILESCCOc1ccc(C(NC(=O)CCNC(=O)C(C)(C)C)c2ccccc2)cc1
InChIInChI=1S/C23H30N2O3/c1-5-28-19-13-11-18(12-14-19)21(17-9-7-6-8-10-17)25-20(26)15-16-24-22(27)23(2,3)4/h6-14,21H,5,15-16H2,1-4H3,(H,24,27)(H,25,26)
InChIKeyWYKOWUQQTZABFB-UHFFFAOYSA-N
XLogP3.84
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.50
LogP ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzhydryl-2-(4-ethoxyphenyl)acetamide
CID 26735218
N-[4-[[(R)-(3,4-dimethylphenyl)-phenylmethyl]amino]-4-oxobutyl]-2,2-dimethylpropanamide
CID 32576772
N-[(4-ethoxyphenyl)-phenylmethyl]-4-(5-methylthiophen-2-yl)-4-oxobutanamide
CID 46433418
2,2-dimethyl-N-[3-(1-naphthalen-2-ylethylamino)-3-oxopropyl]propanamide
CID 18155146
N-[2-(2,2-dimethylpropanoylamino)ethyl]-4-ethoxybenzamide
CID 108540579
N-benzhydryl-2-[(4-ethoxyphenyl)methyl-methylamino]acetamide
CID 8024029
[2-[[(S)-(4-methoxyphenyl)-phenylmethyl]amino]-2-oxoethyl] 4-ethoxybenzoate
CID 8509675
N-[(4-ethoxyphenyl)-phenylmethyl]-2-(4-pyrazol-1-ylphenyl)acetamide
CID 46474166
2,4-dichloro-N-[2-[[(4-ethoxyphenyl)-phenylmethyl]amino]-2-oxoethyl]benzamide
CID 46433559
N-[[4-(difluoromethoxy)phenyl]-phenylmethyl]-3-[(2-phenylacetyl)amino]propanamide
CID 24597044
N-[(4-ethoxyphenyl)-phenylmethyl]-2-(2-oxo-3H-benzimidazol-1-yl)acetamide
CID 112841596
4-bromo-N-[3-[[(S)-(4-methoxyphenyl)-phenylmethyl]amino]-3-oxopropyl]benzamide
CID 40790967

Frequently Asked Questions

What is the IUPAC name of N-[3-[[(4-ethoxyphenyl)-phenylmethyl]amino]-3-oxopropyl]-2,2-dimethylpropanamide?
The IUPAC name of N-[3-[[(4-ethoxyphenyl)-phenylmethyl]amino]-3-oxopropyl]-2,2-dimethylpropanamide (CID 55675013) is N-[3-[[(4-ethoxyphenyl)-phenylmethyl]amino]-3-oxopropyl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[3-[[(4-ethoxyphenyl)-phenylmethyl]amino]-3-oxopropyl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[3-[[(4-ethoxyphenyl)-phenylmethyl]amino]-3-oxopropyl]-2,2-dimethylpropanamide is CCOc1ccc(C(NC(=O)CCNC(=O)C(C)(C)C)c2ccccc2)cc1.
What is the InChIKey of N-[3-[[(4-ethoxyphenyl)-phenylmethyl]amino]-3-oxopropyl]-2,2-dimethylpropanamide?
The InChIKey is WYKOWUQQTZABFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O3/c1-5-28-19-13-11-18(12-14-19)21(17-9-7-6-8-10-17)25-20(26)15-16-24-22(27)23(2,3)4/h6-14,21H,5,15-16H2,1-4H3,(H,24,27)(H,25,26).
What are the key properties of N-[3-[[(4-ethoxyphenyl)-phenylmethyl]amino]-3-oxopropyl]-2,2-dimethylpropanamide?
N-[3-[[(4-ethoxyphenyl)-phenylmethyl]amino]-3-oxopropyl]-2,2-dimethylpropanamide has a molecular weight of 382.50 g/mol, XLogP of 3.84, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[(4-ethoxyphenyl)-phenylmethyl]amino]-3-oxopropyl]-2,2-dimethylpropanamide is sourced from PubChem (CID 55675013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).