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N-[3-(3-aminopropanoylamino)-4-ethylphenyl]-2,2-dimethylpropanamide

C16H25N3O2 — CID 82034526

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPACN-[3-(3-aminopropanoylamino)-4-ethylphenyl]-2,2-dimethylpropanamide
SMILESCCc1ccc(NC(=O)C(C)(C)C)cc1NC(=O)CCN
InChIInChI=1S/C16H25N3O2/c1-5-11-6-7-12(18-15(21)16(2,3)4)10-13(11)19-14(20)8-9-17/h6-7,10H,5,8-9,17H2,1-4H3,(H,18,21)(H,19,20)
InChIKeyGJVDSZOEKFERNI-UHFFFAOYSA-N
MW291.40 g/mol
LogP2.52
Rot. Bonds5

About N-[3-(3-aminopropanoylamino)-4-ethylphenyl]-2,2-dimethylpropanamide

N-[3-(3-aminopropanoylamino)-4-ethylphenyl]-2,2-dimethylpropanamide (PubChem CID 82034526) has the molecular formula C16H25N3O2 and a molecular weight of 291.40 g/mol. Its IUPAC name is N-[3-(3-aminopropanoylamino)-4-ethylphenyl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[3-(3-aminopropanoylamino)-4-ethylphenyl]-2,2-dimethylpropanamide
PubChem CID82034526
Molecular FormulaC16H25N3O2
Molecular Weight291.40 g/mol
Exact Mass291.19
IUPAC NameN-[3-(3-aminopropanoylamino)-4-ethylphenyl]-2,2-dimethylpropanamide
SMILESCCc1ccc(NC(=O)C(C)(C)C)cc1NC(=O)CCN
InChIInChI=1S/C16H25N3O2/c1-5-11-6-7-12(18-15(21)16(2,3)4)10-13(11)19-14(20)8-9-17/h6-7,10H,5,8-9,17H2,1-4H3,(H,18,21)(H,19,20)
InChIKeyGJVDSZOEKFERNI-UHFFFAOYSA-N
XLogP2.52
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.40
LogP ≤ 52.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[3-(3-aminopropanoylamino)-4-ethylphenyl]-2,2-dimethylpropanamide?
The IUPAC name of N-[3-(3-aminopropanoylamino)-4-ethylphenyl]-2,2-dimethylpropanamide (CID 82034526) is N-[3-(3-aminopropanoylamino)-4-ethylphenyl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[3-(3-aminopropanoylamino)-4-ethylphenyl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[3-(3-aminopropanoylamino)-4-ethylphenyl]-2,2-dimethylpropanamide is CCc1ccc(NC(=O)C(C)(C)C)cc1NC(=O)CCN.
What is the InChIKey of N-[3-(3-aminopropanoylamino)-4-ethylphenyl]-2,2-dimethylpropanamide?
The InChIKey is GJVDSZOEKFERNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2/c1-5-11-6-7-12(18-15(21)16(2,3)4)10-13(11)19-14(20)8-9-17/h6-7,10H,5,8-9,17H2,1-4H3,(H,18,21)(H,19,20).
What are the key properties of N-[3-(3-aminopropanoylamino)-4-ethylphenyl]-2,2-dimethylpropanamide?
N-[3-(3-aminopropanoylamino)-4-ethylphenyl]-2,2-dimethylpropanamide has a molecular weight of 291.40 g/mol, XLogP of 2.52, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3-aminopropanoylamino)-4-ethylphenyl]-2,2-dimethylpropanamide is sourced from PubChem (CID 82034526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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