2-[benzyl(1-cyclopropylethyl)amino]-N-(2-methoxyethylcarbamoyl)acetamide

C18H27N3O3 — CID 51249740

IUPAC2-[benzyl(1-cyclopropylethyl)amino]-N-(2-methoxyethylcarbamoyl)acetamide
SMILESCOCCNC(=O)NC(=O)CN(Cc1ccccc1)C(C)C1CC1
InChIInChI=1S/C18H27N3O3/c1-14(16-8-9-16)21(12-15-6-4-3-5-7-15)13-17(22)20-18(23)19-10-11-24-2/h3-7,14,16H,8-13H2,1-2H3,(H2,19,20,22,23)
InChIKeyKUTCYTCYAPCLTE-UHFFFAOYSA-N
MW333.43 g/mol
LogP1.76
Rot. Bonds9

About 2-[benzyl(1-cyclopropylethyl)amino]-N-(2-methoxyethylcarbamoyl)acetamide

2-[benzyl(1-cyclopropylethyl)amino]-N-(2-methoxyethylcarbamoyl)acetamide (PubChem CID 51249740) has the molecular formula C18H27N3O3 and a molecular weight of 333.43 g/mol. Its IUPAC name is 2-[benzyl(1-cyclopropylethyl)amino]-N-(2-methoxyethylcarbamoyl)acetamide.

Molecular Properties

Compound Name2-[benzyl(1-cyclopropylethyl)amino]-N-(2-methoxyethylcarbamoyl)acetamide
PubChem CID51249740
Molecular FormulaC18H27N3O3
Molecular Weight333.43 g/mol
Exact Mass333.21
IUPAC Name2-[benzyl(1-cyclopropylethyl)amino]-N-(2-methoxyethylcarbamoyl)acetamide
SMILESCOCCNC(=O)NC(=O)CN(Cc1ccccc1)C(C)C1CC1
InChIInChI=1S/C18H27N3O3/c1-14(16-8-9-16)21(12-15-6-4-3-5-7-15)13-17(22)20-18(23)19-10-11-24-2/h3-7,14,16H,8-13H2,1-2H3,(H2,19,20,22,23)
InChIKeyKUTCYTCYAPCLTE-UHFFFAOYSA-N
XLogP1.76
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.43
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[benzyl(1-cyclopropylethyl)amino]-N-(phenylcarbamoyl)acetamide
CID 55444967
2-[benzyl-[(1S)-1-cyclopropylethyl]amino]-N-(2-methoxyphenyl)acetamide
CID 31995742
N-benzyl-N-(1-cyclopropylethyl)-2-(2-methoxyethylamino)acetamide
CID 78913957
2-[benzyl(1-cyclopropylethyl)amino]-N-[4-(difluoromethoxy)phenyl]acetamide
CID 46402667
N-benzyl-N-(1-cyclopropylethyl)-2-(2-methoxyethylamino)acetamide;hydrochloride
CID 119679054
2-[[(1S)-1-cyclopropylethyl]-[(4-methoxyphenyl)methyl]amino]acetic acid
CID 100636955
2-[[2-[benzyl(1-cyclopropylethyl)amino]acetyl]amino]-N-(2-bromophenyl)acetamide
CID 46444247
3-[benzyl(1-cyclopropylethyl)amino]-N-carbamoylpropanamide
CID 74655069
2-[benzyl-[(1S)-1-cyclopropylethyl]amino]-N-(3-fluorophenyl)acetamide
CID 31996146
N-(5-acetamido-2-methoxyphenyl)-2-[benzyl(1-cyclopropylethyl)amino]acetamide
CID 46402737
2-[benzyl(2-hydroxyethyl)amino]-N-(2-methoxyethyl)propanamide
CID 60685211
2-[benzyl(propan-2-yl)amino]-N-(cyclohexylmethyl)acetamide
CID 55437170

Frequently Asked Questions

What is the IUPAC name of 2-[benzyl(1-cyclopropylethyl)amino]-N-(2-methoxyethylcarbamoyl)acetamide?
The IUPAC name of 2-[benzyl(1-cyclopropylethyl)amino]-N-(2-methoxyethylcarbamoyl)acetamide (CID 51249740) is 2-[benzyl(1-cyclopropylethyl)amino]-N-(2-methoxyethylcarbamoyl)acetamide.
What is the SMILES notation for 2-[benzyl(1-cyclopropylethyl)amino]-N-(2-methoxyethylcarbamoyl)acetamide?
The canonical SMILES for 2-[benzyl(1-cyclopropylethyl)amino]-N-(2-methoxyethylcarbamoyl)acetamide is COCCNC(=O)NC(=O)CN(Cc1ccccc1)C(C)C1CC1.
What is the InChIKey of 2-[benzyl(1-cyclopropylethyl)amino]-N-(2-methoxyethylcarbamoyl)acetamide?
The InChIKey is KUTCYTCYAPCLTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O3/c1-14(16-8-9-16)21(12-15-6-4-3-5-7-15)13-17(22)20-18(23)19-10-11-24-2/h3-7,14,16H,8-13H2,1-2H3,(H2,19,20,22,23).
What are the key properties of 2-[benzyl(1-cyclopropylethyl)amino]-N-(2-methoxyethylcarbamoyl)acetamide?
2-[benzyl(1-cyclopropylethyl)amino]-N-(2-methoxyethylcarbamoyl)acetamide has a molecular weight of 333.43 g/mol, XLogP of 1.76, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzyl(1-cyclopropylethyl)amino]-N-(2-methoxyethylcarbamoyl)acetamide is sourced from PubChem (CID 51249740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).