2-[2-aminoethyl(2-phenylethyl)amino]-N-(ethylcarbamoyl)propanamide

C16H26N4O2 — CID 120872420

IUPAC2-[2-aminoethyl(2-phenylethyl)amino]-N-(ethylcarbamoyl)propanamide
SMILESCCNC(=O)NC(=O)C(C)N(CCN)CCc1ccccc1
InChIInChI=1S/C16H26N4O2/c1-3-18-16(22)19-15(21)13(2)20(12-10-17)11-9-14-7-5-4-6-8-14/h4-8,13H,3,9-12,17H2,1-2H3,(H2,18,19,21,22)
InChIKeySZZJNYJIHRFPOO-UHFFFAOYSA-N
MW306.41 g/mol
LogP0.72
Rot. Bonds8

About 2-[2-aminoethyl(2-phenylethyl)amino]-N-(ethylcarbamoyl)propanamide

2-[2-aminoethyl(2-phenylethyl)amino]-N-(ethylcarbamoyl)propanamide (PubChem CID 120872420) has the molecular formula C16H26N4O2 and a molecular weight of 306.41 g/mol. Its IUPAC name is 2-[2-aminoethyl(2-phenylethyl)amino]-N-(ethylcarbamoyl)propanamide.

Molecular Properties

Compound Name2-[2-aminoethyl(2-phenylethyl)amino]-N-(ethylcarbamoyl)propanamide
PubChem CID120872420
Molecular FormulaC16H26N4O2
Molecular Weight306.41 g/mol
Exact Mass306.21
IUPAC Name2-[2-aminoethyl(2-phenylethyl)amino]-N-(ethylcarbamoyl)propanamide
SMILESCCNC(=O)NC(=O)C(C)N(CCN)CCc1ccccc1
InChIInChI=1S/C16H26N4O2/c1-3-18-16(22)19-15(21)13(2)20(12-10-17)11-9-14-7-5-4-6-8-14/h4-8,13H,3,9-12,17H2,1-2H3,(H2,18,19,21,22)
InChIKeySZZJNYJIHRFPOO-UHFFFAOYSA-N
XLogP0.72
TPSA87.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 50.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2-aminoethyl(2-phenylethyl)amino]-N-(ethylcarbamoyl)propanamide?
The IUPAC name of 2-[2-aminoethyl(2-phenylethyl)amino]-N-(ethylcarbamoyl)propanamide (CID 120872420) is 2-[2-aminoethyl(2-phenylethyl)amino]-N-(ethylcarbamoyl)propanamide.
What is the SMILES notation for 2-[2-aminoethyl(2-phenylethyl)amino]-N-(ethylcarbamoyl)propanamide?
The canonical SMILES for 2-[2-aminoethyl(2-phenylethyl)amino]-N-(ethylcarbamoyl)propanamide is CCNC(=O)NC(=O)C(C)N(CCN)CCc1ccccc1.
What is the InChIKey of 2-[2-aminoethyl(2-phenylethyl)amino]-N-(ethylcarbamoyl)propanamide?
The InChIKey is SZZJNYJIHRFPOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O2/c1-3-18-16(22)19-15(21)13(2)20(12-10-17)11-9-14-7-5-4-6-8-14/h4-8,13H,3,9-12,17H2,1-2H3,(H2,18,19,21,22).
What are the key properties of 2-[2-aminoethyl(2-phenylethyl)amino]-N-(ethylcarbamoyl)propanamide?
2-[2-aminoethyl(2-phenylethyl)amino]-N-(ethylcarbamoyl)propanamide has a molecular weight of 306.41 g/mol, XLogP of 0.72, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-aminoethyl(2-phenylethyl)amino]-N-(ethylcarbamoyl)propanamide is sourced from PubChem (CID 120872420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).