N-[(2,2-dimethylpropanoylamino)-(4-propoxyphenyl)methyl]-2,2-dimethylpropanamide

C20H32N2O3 — CID 18839386

IUPACN-[(2,2-dimethylpropanoylamino)-(4-propoxyphenyl)methyl]-2,2-dimethylpropanamide
SMILESCCCOc1ccc(C(NC(=O)C(C)(C)C)NC(=O)C(C)(C)C)cc1
InChIInChI=1S/C20H32N2O3/c1-8-13-25-15-11-9-14(10-12-15)16(21-17(23)19(2,3)4)22-18(24)20(5,6)7/h9-12,16H,8,13H2,1-7H3,(H,21,23)(H,22,24)
InChIKeyVZKPBEQYLDGDRQ-UHFFFAOYSA-N
MW348.49 g/mol
LogP3.80
Rot. Bonds6

About N-[(2,2-dimethylpropanoylamino)-(4-propoxyphenyl)methyl]-2,2-dimethylpropanamide

N-[(2,2-dimethylpropanoylamino)-(4-propoxyphenyl)methyl]-2,2-dimethylpropanamide (PubChem CID 18839386) has the molecular formula C20H32N2O3 and a molecular weight of 348.49 g/mol. Its IUPAC name is N-[(2,2-dimethylpropanoylamino)-(4-propoxyphenyl)methyl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[(2,2-dimethylpropanoylamino)-(4-propoxyphenyl)methyl]-2,2-dimethylpropanamide
PubChem CID18839386
Molecular FormulaC20H32N2O3
Molecular Weight348.49 g/mol
Exact Mass348.24
IUPAC NameN-[(2,2-dimethylpropanoylamino)-(4-propoxyphenyl)methyl]-2,2-dimethylpropanamide
SMILESCCCOc1ccc(C(NC(=O)C(C)(C)C)NC(=O)C(C)(C)C)cc1
InChIInChI=1S/C20H32N2O3/c1-8-13-25-15-11-9-14(10-12-15)16(21-17(23)19(2,3)4)22-18(24)20(5,6)7/h9-12,16H,8,13H2,1-7H3,(H,21,23)(H,22,24)
InChIKeyVZKPBEQYLDGDRQ-UHFFFAOYSA-N
XLogP3.80
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.49
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2,2-dimethyl-N-[(4-propoxyphenyl)carbamothioyl]propanamide
CID 4943273
(3R)-3-amino-3-(4-propoxyphenyl)propanoic acid
CID 2060966
2-(4-propoxyphenyl)pentan-3-one
CID 79307354
2-chloro-2-(4-propoxyphenyl)acetic acid
CID 82288302
2,2-dimethyl-N-[(2S)-1-(4-methylphenoxy)propan-2-yl]propanamide
CID 52773928
2-methyl-2-[(4-propoxyphenyl)methylamino]propanamide
CID 61221118
1-(1-hydroperoxyethyl)-4-propoxybenzene
CID 11241018
1-(2-hydroperoxypropan-2-yl)-4-propoxybenzene
CID 11481238
(3S)-3-benzamido-3-(4-propoxyphenyl)propanoic acid
CID 7044624
2-(4-tert-butylphenyl)-3-(4-propoxyphenyl)propanoic acid
CID 67490583
2-(butan-2-ylamino)-2-(4-propoxyphenyl)propanamide
CID 61024007
2-hydroxy-2-(4-propoxyphenyl)propanoic acid
CID 61237802

Frequently Asked Questions

What is the IUPAC name of N-[(2,2-dimethylpropanoylamino)-(4-propoxyphenyl)methyl]-2,2-dimethylpropanamide?
The IUPAC name of N-[(2,2-dimethylpropanoylamino)-(4-propoxyphenyl)methyl]-2,2-dimethylpropanamide (CID 18839386) is N-[(2,2-dimethylpropanoylamino)-(4-propoxyphenyl)methyl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[(2,2-dimethylpropanoylamino)-(4-propoxyphenyl)methyl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[(2,2-dimethylpropanoylamino)-(4-propoxyphenyl)methyl]-2,2-dimethylpropanamide is CCCOc1ccc(C(NC(=O)C(C)(C)C)NC(=O)C(C)(C)C)cc1.
What is the InChIKey of N-[(2,2-dimethylpropanoylamino)-(4-propoxyphenyl)methyl]-2,2-dimethylpropanamide?
The InChIKey is VZKPBEQYLDGDRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N2O3/c1-8-13-25-15-11-9-14(10-12-15)16(21-17(23)19(2,3)4)22-18(24)20(5,6)7/h9-12,16H,8,13H2,1-7H3,(H,21,23)(H,22,24).
What are the key properties of N-[(2,2-dimethylpropanoylamino)-(4-propoxyphenyl)methyl]-2,2-dimethylpropanamide?
N-[(2,2-dimethylpropanoylamino)-(4-propoxyphenyl)methyl]-2,2-dimethylpropanamide has a molecular weight of 348.49 g/mol, XLogP of 3.80, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,2-dimethylpropanoylamino)-(4-propoxyphenyl)methyl]-2,2-dimethylpropanamide is sourced from PubChem (CID 18839386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).