2-[[2-[benzyl(cyclopropyl)amino]-2-oxoethyl]-(2-methylpropyl)amino]acetamide

C18H27N3O2 — CID 60500084

IUPAC2-[[2-[benzyl(cyclopropyl)amino]-2-oxoethyl]-(2-methylpropyl)amino]acetamide
SMILESCC(C)CN(CC(N)=O)CC(=O)N(Cc1ccccc1)C1CC1
InChIInChI=1S/C18H27N3O2/c1-14(2)10-20(12-17(19)22)13-18(23)21(16-8-9-16)11-15-6-4-3-5-7-15/h3-7,14,16H,8-13H2,1-2H3,(H2,19,22)
InChIKeyVBYZZADXWGVUDT-UHFFFAOYSA-N
MW317.43 g/mol
LogP1.62
Rot. Bonds9

About 2-[[2-[benzyl(cyclopropyl)amino]-2-oxoethyl]-(2-methylpropyl)amino]acetamide

2-[[2-[benzyl(cyclopropyl)amino]-2-oxoethyl]-(2-methylpropyl)amino]acetamide (PubChem CID 60500084) has the molecular formula C18H27N3O2 and a molecular weight of 317.43 g/mol. Its IUPAC name is 2-[[2-[benzyl(cyclopropyl)amino]-2-oxoethyl]-(2-methylpropyl)amino]acetamide.

Molecular Properties

Compound Name2-[[2-[benzyl(cyclopropyl)amino]-2-oxoethyl]-(2-methylpropyl)amino]acetamide
PubChem CID60500084
Molecular FormulaC18H27N3O2
Molecular Weight317.43 g/mol
Exact Mass317.21
IUPAC Name2-[[2-[benzyl(cyclopropyl)amino]-2-oxoethyl]-(2-methylpropyl)amino]acetamide
SMILESCC(C)CN(CC(N)=O)CC(=O)N(Cc1ccccc1)C1CC1
InChIInChI=1S/C18H27N3O2/c1-14(2)10-20(12-17(19)22)13-18(23)21(16-8-9-16)11-15-6-4-3-5-7-15/h3-7,14,16H,8-13H2,1-2H3,(H2,19,22)
InChIKeyVBYZZADXWGVUDT-UHFFFAOYSA-N
XLogP1.62
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.43
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclopropyl-2-(dibenzylamino)-N-ethylacetamide
CID 52675045
N-benzyl-N-cyclopropyl-3,3-diphenylpropanamide
CID 55549162
N-cyclopropyl-N-(2-methylpropyl)-3-phenylpropanamide
CID 78850523
N-benzyl-2-(butan-2-ylamino)-N-cyclopropylacetamide
CID 54925148
3-[benzyl-[2-[cyclohexyl-[(4-fluorophenyl)methyl]amino]-2-oxoethyl]amino]propanamide
CID 18124761
N-benzyl-2-[2-methylpropyl(propylsulfonyl)amino]-N-(1-methylsulfonylpiperidin-4-yl)acetamide
CID 46108496
ethyl 4-[benzyl(cyclopropyl)amino]-4-oxobutanoate
CID 60725115
2-(2-aminoethoxy)-N-benzyl-N-cyclopropylacetamide
CID 79473802
N-benzyl-3-chloro-N-cyclopropyl-2-methylpropanamide
CID 55110663
N-benzyl-N-(1-benzylsulfonylpiperidin-4-yl)-2-[2-methylpropyl(propylsulfonyl)amino]acetamide
CID 46108494
2-[[2-(2-methylphenyl)-2-oxoethyl]-(2-methylpropyl)amino]acetamide
CID 62035855
6-amino-N-benzyl-N-cyclopropylhexanamide
CID 43579228

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[benzyl(cyclopropyl)amino]-2-oxoethyl]-(2-methylpropyl)amino]acetamide?
The IUPAC name of 2-[[2-[benzyl(cyclopropyl)amino]-2-oxoethyl]-(2-methylpropyl)amino]acetamide (CID 60500084) is 2-[[2-[benzyl(cyclopropyl)amino]-2-oxoethyl]-(2-methylpropyl)amino]acetamide.
What is the SMILES notation for 2-[[2-[benzyl(cyclopropyl)amino]-2-oxoethyl]-(2-methylpropyl)amino]acetamide?
The canonical SMILES for 2-[[2-[benzyl(cyclopropyl)amino]-2-oxoethyl]-(2-methylpropyl)amino]acetamide is CC(C)CN(CC(N)=O)CC(=O)N(Cc1ccccc1)C1CC1.
What is the InChIKey of 2-[[2-[benzyl(cyclopropyl)amino]-2-oxoethyl]-(2-methylpropyl)amino]acetamide?
The InChIKey is VBYZZADXWGVUDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O2/c1-14(2)10-20(12-17(19)22)13-18(23)21(16-8-9-16)11-15-6-4-3-5-7-15/h3-7,14,16H,8-13H2,1-2H3,(H2,19,22).
What are the key properties of 2-[[2-[benzyl(cyclopropyl)amino]-2-oxoethyl]-(2-methylpropyl)amino]acetamide?
2-[[2-[benzyl(cyclopropyl)amino]-2-oxoethyl]-(2-methylpropyl)amino]acetamide has a molecular weight of 317.43 g/mol, XLogP of 1.62, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[benzyl(cyclopropyl)amino]-2-oxoethyl]-(2-methylpropyl)amino]acetamide is sourced from PubChem (CID 60500084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).