N-[4-[3-(3-methylphenoxy)propylamino]-4-oxobutyl]cyclopropanecarboxamide

C18H26N2O3 — CID 46438274

IUPACN-[4-[3-(3-methylphenoxy)propylamino]-4-oxobutyl]cyclopropanecarboxamide
SMILESCc1cccc(OCCCNC(=O)CCCNC(=O)C2CC2)c1
InChIInChI=1S/C18H26N2O3/c1-14-5-2-6-16(13-14)23-12-4-11-19-17(21)7-3-10-20-18(22)15-8-9-15/h2,5-6,13,15H,3-4,7-12H2,1H3,(H,19,21)(H,20,22)
InChIKeyGPGCSUHQJPOOMY-UHFFFAOYSA-N
MW318.42 g/mol
LogP2.19
Rot. Bonds10

About N-[4-[3-(3-methylphenoxy)propylamino]-4-oxobutyl]cyclopropanecarboxamide

N-[4-[3-(3-methylphenoxy)propylamino]-4-oxobutyl]cyclopropanecarboxamide (PubChem CID 46438274) has the molecular formula C18H26N2O3 and a molecular weight of 318.42 g/mol. Its IUPAC name is N-[4-[3-(3-methylphenoxy)propylamino]-4-oxobutyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[4-[3-(3-methylphenoxy)propylamino]-4-oxobutyl]cyclopropanecarboxamide
PubChem CID46438274
Molecular FormulaC18H26N2O3
Molecular Weight318.42 g/mol
Exact Mass318.19
IUPAC NameN-[4-[3-(3-methylphenoxy)propylamino]-4-oxobutyl]cyclopropanecarboxamide
SMILESCc1cccc(OCCCNC(=O)CCCNC(=O)C2CC2)c1
InChIInChI=1S/C18H26N2O3/c1-14-5-2-6-16(13-14)23-12-4-11-19-17(21)7-3-10-20-18(22)15-8-9-15/h2,5-6,13,15H,3-4,7-12H2,1H3,(H,19,21)(H,20,22)
InChIKeyGPGCSUHQJPOOMY-UHFFFAOYSA-N
XLogP2.19
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[[2-(3-methylphenoxy)acetyl]amino]ethyl]cyclopropanecarboxamide
CID 47102238
N'-[4-(3-methylphenoxy)butanoyl]cyclopropanecarbohydrazide
CID 26798980
2-(3-methylphenoxy)-N-[3-(3-methylphenoxy)propyl]acetamide
CID 24533364
N-(6-hydroxyhexyl)-4-(3-methylphenoxy)butanamide
CID 103919173
N-[2-(diethylamino)ethyl]-4-(3-methylphenoxy)butanamide
CID 78782902
N-[2-[[ethylamino-[2-(3-methylphenoxy)ethylamino]methylidene]amino]ethyl]cyclopropanecarboxamide
CID 111366809
N-[2-(3-methylphenoxy)ethyl]-3-piperidin-4-ylpropanamide
CID 62211308
N-[2-(3-methylphenoxy)ethyl]spiro[1,3-dithiolane-2,8'-bicyclo[3.2.1]octane]-3'-carboxamide
CID 18115632
5-(3-methylphenoxy)-N-prop-2-ynylpentanamide
CID 60584237
1-(2-fluorophenyl)sulfonyl-N-[3-(3-methylphenoxy)propyl]piperidine-4-carboxamide
CID 27040123
N-[2-(3-aminophenoxy)ethyl]cyclopropanecarboxamide
CID 39244343
N-[2-(methylamino)ethyl]-3-(3-methylphenoxy)propanamide
CID 62659653

Frequently Asked Questions

What is the IUPAC name of N-[4-[3-(3-methylphenoxy)propylamino]-4-oxobutyl]cyclopropanecarboxamide?
The IUPAC name of N-[4-[3-(3-methylphenoxy)propylamino]-4-oxobutyl]cyclopropanecarboxamide (CID 46438274) is N-[4-[3-(3-methylphenoxy)propylamino]-4-oxobutyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[4-[3-(3-methylphenoxy)propylamino]-4-oxobutyl]cyclopropanecarboxamide?
The canonical SMILES for N-[4-[3-(3-methylphenoxy)propylamino]-4-oxobutyl]cyclopropanecarboxamide is Cc1cccc(OCCCNC(=O)CCCNC(=O)C2CC2)c1.
What is the InChIKey of N-[4-[3-(3-methylphenoxy)propylamino]-4-oxobutyl]cyclopropanecarboxamide?
The InChIKey is GPGCSUHQJPOOMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O3/c1-14-5-2-6-16(13-14)23-12-4-11-19-17(21)7-3-10-20-18(22)15-8-9-15/h2,5-6,13,15H,3-4,7-12H2,1H3,(H,19,21)(H,20,22).
What are the key properties of N-[4-[3-(3-methylphenoxy)propylamino]-4-oxobutyl]cyclopropanecarboxamide?
N-[4-[3-(3-methylphenoxy)propylamino]-4-oxobutyl]cyclopropanecarboxamide has a molecular weight of 318.42 g/mol, XLogP of 2.19, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[3-(3-methylphenoxy)propylamino]-4-oxobutyl]cyclopropanecarboxamide is sourced from PubChem (CID 46438274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).