2-[cyclopropyl-[(4-propan-2-ylphenyl)methyl]amino]-N-(ethylcarbamoyl)acetamide

C18H27N3O2 — CID 8915748

IUPAC2-[cyclopropyl-[(4-propan-2-ylphenyl)methyl]amino]-N-(ethylcarbamoyl)acetamide
SMILESCCNC(=O)NC(=O)CN(Cc1ccc(C(C)C)cc1)C1CC1
InChIInChI=1S/C18H27N3O2/c1-4-19-18(23)20-17(22)12-21(16-9-10-16)11-14-5-7-15(8-6-14)13(2)3/h5-8,13,16H,4,9-12H2,1-3H3,(H2,19,20,22,23)
InChIKeyDNFLRGPKTGBFRM-UHFFFAOYSA-N
MW317.43 g/mol
LogP2.62
Rot. Bonds7

About 2-[cyclopropyl-[(4-propan-2-ylphenyl)methyl]amino]-N-(ethylcarbamoyl)acetamide

2-[cyclopropyl-[(4-propan-2-ylphenyl)methyl]amino]-N-(ethylcarbamoyl)acetamide (PubChem CID 8915748) has the molecular formula C18H27N3O2 and a molecular weight of 317.43 g/mol. Its IUPAC name is 2-[cyclopropyl-[(4-propan-2-ylphenyl)methyl]amino]-N-(ethylcarbamoyl)acetamide.

Molecular Properties

Compound Name2-[cyclopropyl-[(4-propan-2-ylphenyl)methyl]amino]-N-(ethylcarbamoyl)acetamide
PubChem CID8915748
Molecular FormulaC18H27N3O2
Molecular Weight317.43 g/mol
Exact Mass317.21
IUPAC Name2-[cyclopropyl-[(4-propan-2-ylphenyl)methyl]amino]-N-(ethylcarbamoyl)acetamide
SMILESCCNC(=O)NC(=O)CN(Cc1ccc(C(C)C)cc1)C1CC1
InChIInChI=1S/C18H27N3O2/c1-4-19-18(23)20-17(22)12-21(16-9-10-16)11-14-5-7-15(8-6-14)13(2)3/h5-8,13,16H,4,9-12H2,1-3H3,(H2,19,20,22,23)
InChIKeyDNFLRGPKTGBFRM-UHFFFAOYSA-N
XLogP2.62
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.43
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(ethylcarbamoyl)-2-[methyl-[(4-propan-2-ylphenyl)methyl]amino]acetamide
CID 9028269
2-[cyclopropyl-[(4-propan-2-ylphenyl)methyl]amino]-N-[(1R)-1-(4-sulfamoylphenyl)ethyl]acetamide
CID 8916279
2-[cyclopropyl-[(4-propan-2-ylphenyl)methyl]amino]-N-(3-methyl-1,2-oxazol-5-yl)acetamide
CID 18154510
N-(1-cyanocyclohexyl)-2-[cyclopropyl-[(4-propan-2-ylphenyl)methyl]amino]acetamide
CID 36932366
2-[methyl-[(4-propan-2-ylphenyl)methyl]amino]-N-(2-methylpropylcarbamoyl)acetamide
CID 9028292
2-[cyclopropyl-[(4-propan-2-ylphenyl)methyl]amino]-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide
CID 86911651
2-[(4-chlorophenyl)methyl-cyclopropylamino]-N-(3-methylbutan-2-yl)acetamide
CID 60502680
N-(6-acetyl-1,3-benzodioxol-5-yl)-2-[cyclopropyl-[(4-propan-2-ylphenyl)methyl]amino]acetamide
CID 8916116
2-[cyclopropyl-[(4-propan-2-ylphenyl)methyl]amino]-N-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetamide
CID 8915959
2-[cyclopentyl-[(4-propan-2-ylphenyl)methyl]amino]-N'-hydroxyethanimidamide
CID 77044796
2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]-N-(furan-2-ylmethylcarbamoyl)acetamide
CID 8770402
N-(ethylcarbamoyl)-2-[ethyl(piperidin-4-yl)amino]acetamide
CID 60806622

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropyl-[(4-propan-2-ylphenyl)methyl]amino]-N-(ethylcarbamoyl)acetamide?
The IUPAC name of 2-[cyclopropyl-[(4-propan-2-ylphenyl)methyl]amino]-N-(ethylcarbamoyl)acetamide (CID 8915748) is 2-[cyclopropyl-[(4-propan-2-ylphenyl)methyl]amino]-N-(ethylcarbamoyl)acetamide.
What is the SMILES notation for 2-[cyclopropyl-[(4-propan-2-ylphenyl)methyl]amino]-N-(ethylcarbamoyl)acetamide?
The canonical SMILES for 2-[cyclopropyl-[(4-propan-2-ylphenyl)methyl]amino]-N-(ethylcarbamoyl)acetamide is CCNC(=O)NC(=O)CN(Cc1ccc(C(C)C)cc1)C1CC1.
What is the InChIKey of 2-[cyclopropyl-[(4-propan-2-ylphenyl)methyl]amino]-N-(ethylcarbamoyl)acetamide?
The InChIKey is DNFLRGPKTGBFRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O2/c1-4-19-18(23)20-17(22)12-21(16-9-10-16)11-14-5-7-15(8-6-14)13(2)3/h5-8,13,16H,4,9-12H2,1-3H3,(H2,19,20,22,23).
What are the key properties of 2-[cyclopropyl-[(4-propan-2-ylphenyl)methyl]amino]-N-(ethylcarbamoyl)acetamide?
2-[cyclopropyl-[(4-propan-2-ylphenyl)methyl]amino]-N-(ethylcarbamoyl)acetamide has a molecular weight of 317.43 g/mol, XLogP of 2.62, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropyl-[(4-propan-2-ylphenyl)methyl]amino]-N-(ethylcarbamoyl)acetamide is sourced from PubChem (CID 8915748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).