N-[2-(2,2-dimethylpropanoylamino)ethyl]-4-ethoxybenzamide

C16H24N2O3 — CID 108540579

IUPACN-[2-(2,2-dimethylpropanoylamino)ethyl]-4-ethoxybenzamide
SMILESCCOc1ccc(C(=O)NCCNC(=O)C(C)(C)C)cc1
InChIInChI=1S/C16H24N2O3/c1-5-21-13-8-6-12(7-9-13)14(19)17-10-11-18-15(20)16(2,3)4/h6-9H,5,10-11H2,1-4H3,(H,17,19)(H,18,20)
InChIKeyULZPHGSNNQABMY-UHFFFAOYSA-N
MW292.38 g/mol
LogP1.98
Rot. Bonds6

About N-[2-(2,2-dimethylpropanoylamino)ethyl]-4-ethoxybenzamide

N-[2-(2,2-dimethylpropanoylamino)ethyl]-4-ethoxybenzamide (PubChem CID 108540579) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is N-[2-(2,2-dimethylpropanoylamino)ethyl]-4-ethoxybenzamide.

Molecular Properties

Compound NameN-[2-(2,2-dimethylpropanoylamino)ethyl]-4-ethoxybenzamide
PubChem CID108540579
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC NameN-[2-(2,2-dimethylpropanoylamino)ethyl]-4-ethoxybenzamide
SMILESCCOc1ccc(C(=O)NCCNC(=O)C(C)(C)C)cc1
InChIInChI=1S/C16H24N2O3/c1-5-21-13-8-6-12(7-9-13)14(19)17-10-11-18-15(20)16(2,3)4/h6-9H,5,10-11H2,1-4H3,(H,17,19)(H,18,20)
InChIKeyULZPHGSNNQABMY-UHFFFAOYSA-N
XLogP1.98
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-[(4-ethoxybenzoyl)amino]ethyl]pyridine-4-carboxamide
CID 108540562
N-[2-(dimethylcarbamoylamino)ethyl]-4-ethoxybenzamide
CID 108572043
N-[2-[(R)-tert-butylsulfinyl]ethyl]-4-ethoxybenzamide
CID 96527002
4-ethoxy-N-[2-(methanesulfonamido)ethyl]benzamide
CID 108572051
N-[2-[(4-ethoxybenzoyl)amino]ethyl]pyridine-3-carboxamide
CID 39580083
N-decyl-4-ethoxybenzamide
CID 4123784
N-[2-[(4-ethoxybenzoyl)amino]ethyl]-3-hydroxybenzamide
CID 108540575
4-ethoxy-N-[3-[3-[(4-ethoxybenzoyl)amino]propyl-methylamino]propyl]benzamide
CID 17296274
4-ethoxy-N-[[4-[[(4-ethoxybenzoyl)amino]methyl]phenyl]methyl]benzamide
CID 3528873
4-ethoxy-N-(4-hydroxypentyl)benzamide
CID 107299822
4-N-(4-ethoxyphenyl)-1-N-(2-methoxyethyl)benzene-1,4-dicarboxamide
CID 109045187
N-[2-[[4-(4-ethoxyphenyl)-4-oxobutanoyl]amino]ethyl]benzamide
CID 134046513

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,2-dimethylpropanoylamino)ethyl]-4-ethoxybenzamide?
The IUPAC name of N-[2-(2,2-dimethylpropanoylamino)ethyl]-4-ethoxybenzamide (CID 108540579) is N-[2-(2,2-dimethylpropanoylamino)ethyl]-4-ethoxybenzamide.
What is the SMILES notation for N-[2-(2,2-dimethylpropanoylamino)ethyl]-4-ethoxybenzamide?
The canonical SMILES for N-[2-(2,2-dimethylpropanoylamino)ethyl]-4-ethoxybenzamide is CCOc1ccc(C(=O)NCCNC(=O)C(C)(C)C)cc1.
What is the InChIKey of N-[2-(2,2-dimethylpropanoylamino)ethyl]-4-ethoxybenzamide?
The InChIKey is ULZPHGSNNQABMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3/c1-5-21-13-8-6-12(7-9-13)14(19)17-10-11-18-15(20)16(2,3)4/h6-9H,5,10-11H2,1-4H3,(H,17,19)(H,18,20).
What are the key properties of N-[2-(2,2-dimethylpropanoylamino)ethyl]-4-ethoxybenzamide?
N-[2-(2,2-dimethylpropanoylamino)ethyl]-4-ethoxybenzamide has a molecular weight of 292.38 g/mol, XLogP of 1.98, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,2-dimethylpropanoylamino)ethyl]-4-ethoxybenzamide is sourced from PubChem (CID 108540579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).