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

C18H27NO3 — CID 78813388

IUPACN-cyclopropyl-2-(2-methoxyethoxy)-N-[(4-propan-2-ylphenyl)methyl]acetamide
SMILESCOCCOCC(=O)N(Cc1ccc(C(C)C)cc1)C1CC1
InChIInChI=1S/C18H27NO3/c1-14(2)16-6-4-15(5-7-16)12-19(17-8-9-17)18(20)13-22-11-10-21-3/h4-7,14,17H,8-13H2,1-3H3
InChIKeyVTFZCLVRDPTZHW-UHFFFAOYSA-N
MW305.42 g/mol
LogP2.96
Rot. Bonds9

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

N-cyclopropyl-2-(2-methoxyethoxy)-N-[(4-propan-2-ylphenyl)methyl]acetamide (PubChem CID 78813388) has the molecular formula C18H27NO3 and a molecular weight of 305.42 g/mol. Its IUPAC name is N-cyclopropyl-2-(2-methoxyethoxy)-N-[(4-propan-2-ylphenyl)methyl]acetamide.

Molecular Properties

Compound NameN-cyclopropyl-2-(2-methoxyethoxy)-N-[(4-propan-2-ylphenyl)methyl]acetamide
PubChem CID78813388
Molecular FormulaC18H27NO3
Molecular Weight305.42 g/mol
Exact Mass305.20
IUPAC NameN-cyclopropyl-2-(2-methoxyethoxy)-N-[(4-propan-2-ylphenyl)methyl]acetamide
SMILESCOCCOCC(=O)N(Cc1ccc(C(C)C)cc1)C1CC1
InChIInChI=1S/C18H27NO3/c1-14(2)16-6-4-15(5-7-16)12-19(17-8-9-17)18(20)13-22-11-10-21-3/h4-7,14,17H,8-13H2,1-3H3
InChIKeyVTFZCLVRDPTZHW-UHFFFAOYSA-N
XLogP2.96
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.42
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-cyclopropyl-2-(2-hydroxyphenoxy)-N-[(4-propan-2-ylphenyl)methyl]acetamide
CID 78813389
4-amino-N-cyclopropyl-N-[(4-propan-2-ylphenyl)methyl]pentanamide
CID 120559362
N-cyclopropyl-2-(methylamino)-N-[(4-propan-2-ylphenyl)methyl]acetamide;hydrochloride
CID 119693001
(2S)-2-amino-N-cyclopropyl-N-[(4-propan-2-ylphenyl)methyl]propanamide;hydrochloride
CID 119273120
4-chloro-N-[2-[cyclopropyl-[(4-propan-2-ylphenyl)methyl]amino]-2-oxoethyl]benzamide
CID 9479104
2-(2-aminoethoxy)-N-benzyl-N-cyclopropylacetamide
CID 79473802
N-[3-[cyclopropyl-[(4-propan-2-ylphenyl)methyl]amino]-3-oxopropyl]benzamide
CID 39968084
N-cyclopropyl-N-[(3,4-dichlorophenyl)methyl]-2-methoxyacetamide
CID 61061923
N-[2-[cyclopropyl-[(4-propan-2-ylphenyl)methyl]amino]-2-oxoethyl]-2-fluorobenzamide
CID 9479093
N-cyclopropyl-2-(3-methyl-2,5-dioxoimidazolidin-1-yl)-N-[(4-propan-2-ylphenyl)methyl]acetamide
CID 17484154
N-[2-[cyclopropyl-[(4-propan-2-ylphenyl)methyl]amino]-2-oxoethyl]adamantane-1-carboxamide
CID 31784528
N-[(3R)-1,1-dioxothiolan-3-yl]-2-(4-fluorophenoxy)-N-[(4-propan-2-ylphenyl)methyl]acetamide
CID 7123356

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-(2-methoxyethoxy)-N-[(4-propan-2-ylphenyl)methyl]acetamide?
The IUPAC name of N-cyclopropyl-2-(2-methoxyethoxy)-N-[(4-propan-2-ylphenyl)methyl]acetamide (CID 78813388) is N-cyclopropyl-2-(2-methoxyethoxy)-N-[(4-propan-2-ylphenyl)methyl]acetamide.
What is the SMILES notation for N-cyclopropyl-2-(2-methoxyethoxy)-N-[(4-propan-2-ylphenyl)methyl]acetamide?
The canonical SMILES for N-cyclopropyl-2-(2-methoxyethoxy)-N-[(4-propan-2-ylphenyl)methyl]acetamide is COCCOCC(=O)N(Cc1ccc(C(C)C)cc1)C1CC1.
What is the InChIKey of N-cyclopropyl-2-(2-methoxyethoxy)-N-[(4-propan-2-ylphenyl)methyl]acetamide?
The InChIKey is VTFZCLVRDPTZHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO3/c1-14(2)16-6-4-15(5-7-16)12-19(17-8-9-17)18(20)13-22-11-10-21-3/h4-7,14,17H,8-13H2,1-3H3.
What are the key properties of N-cyclopropyl-2-(2-methoxyethoxy)-N-[(4-propan-2-ylphenyl)methyl]acetamide?
N-cyclopropyl-2-(2-methoxyethoxy)-N-[(4-propan-2-ylphenyl)methyl]acetamide has a molecular weight of 305.42 g/mol, XLogP of 2.96, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-(2-methoxyethoxy)-N-[(4-propan-2-ylphenyl)methyl]acetamide is sourced from PubChem (CID 78813388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).