N-[4-(butanoylamino)-2,5-diethoxyphenyl]cyclopropanecarboxamide

C18H26N2O4 — CID 1428132

IUPACN-[4-(butanoylamino)-2,5-diethoxyphenyl]cyclopropanecarboxamide
SMILESCCCC(=O)Nc1cc(OCC)c(NC(=O)C2CC2)cc1OCC
InChIInChI=1S/C18H26N2O4/c1-4-7-17(21)19-13-10-16(24-6-3)14(11-15(13)23-5-2)20-18(22)12-8-9-12/h10-12H,4-9H2,1-3H3,(H,19,21)(H,20,22)
InChIKeyHKBMATXYTRYQOM-UHFFFAOYSA-N
MW334.42 g/mol
LogP3.57
Rot. Bonds9

About N-[4-(butanoylamino)-2,5-diethoxyphenyl]cyclopropanecarboxamide

N-[4-(butanoylamino)-2,5-diethoxyphenyl]cyclopropanecarboxamide (PubChem CID 1428132) has the molecular formula C18H26N2O4 and a molecular weight of 334.42 g/mol. Its IUPAC name is N-[4-(butanoylamino)-2,5-diethoxyphenyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[4-(butanoylamino)-2,5-diethoxyphenyl]cyclopropanecarboxamide
PubChem CID1428132
Molecular FormulaC18H26N2O4
Molecular Weight334.42 g/mol
Exact Mass334.19
IUPAC NameN-[4-(butanoylamino)-2,5-diethoxyphenyl]cyclopropanecarboxamide
SMILESCCCC(=O)Nc1cc(OCC)c(NC(=O)C2CC2)cc1OCC
InChIInChI=1S/C18H26N2O4/c1-4-7-17(21)19-13-10-16(24-6-3)14(11-15(13)23-5-2)20-18(22)12-8-9-12/h10-12H,4-9H2,1-3H3,(H,19,21)(H,20,22)
InChIKeyHKBMATXYTRYQOM-UHFFFAOYSA-N
XLogP3.57
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(3-chloropropanoylamino)-2,5-diethoxyphenyl]cyclopropanecarboxamide
CID 3173030
N-(5-acetyl-2-ethoxyphenyl)cyclopropanecarboxamide
CID 82156326
N-[4-(2-bromoacetyl)-2-ethoxyphenyl]cyclopropanecarboxamide
CID 82258653
N-[2,5-diethoxy-4-(3-ethoxypropylcarbamothioylamino)phenyl]cyclopropanecarboxamide
CID 3186775
N-[4-[(4-butylcyclohexanecarbonyl)amino]-2,5-diethoxyphenyl]benzamide
CID 19207017
N-[4-(butanoylamino)-2,5-diethoxyphenyl]-4-tert-butylbenzamide
CID 1428135
N-(5-chloro-2-ethoxyphenyl)butanamide
CID 61062519
N-[4-(2-aminoethyl)-2-ethoxyphenyl]cyclopropanecarboxamide
CID 82259679
N-[4-(cyclopropanecarbonylamino)-2,5-diethoxyphenyl]phenothiazine-10-carboxamide
CID 1441405
N-[3-(butanoylamino)phenyl]cyclopropanecarboxamide
CID 17187554
N-[2-ethoxy-4-(piperidin-4-ylmethyl)phenyl]butanamide
CID 82260260
4-N-(2-ethoxyphenyl)-1-N-(2-methoxyphenyl)cyclohexane-1,4-dicarboxamide
CID 109151014

Frequently Asked Questions

What is the IUPAC name of N-[4-(butanoylamino)-2,5-diethoxyphenyl]cyclopropanecarboxamide?
The IUPAC name of N-[4-(butanoylamino)-2,5-diethoxyphenyl]cyclopropanecarboxamide (CID 1428132) is N-[4-(butanoylamino)-2,5-diethoxyphenyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[4-(butanoylamino)-2,5-diethoxyphenyl]cyclopropanecarboxamide?
The canonical SMILES for N-[4-(butanoylamino)-2,5-diethoxyphenyl]cyclopropanecarboxamide is CCCC(=O)Nc1cc(OCC)c(NC(=O)C2CC2)cc1OCC.
What is the InChIKey of N-[4-(butanoylamino)-2,5-diethoxyphenyl]cyclopropanecarboxamide?
The InChIKey is HKBMATXYTRYQOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O4/c1-4-7-17(21)19-13-10-16(24-6-3)14(11-15(13)23-5-2)20-18(22)12-8-9-12/h10-12H,4-9H2,1-3H3,(H,19,21)(H,20,22).
What are the key properties of N-[4-(butanoylamino)-2,5-diethoxyphenyl]cyclopropanecarboxamide?
N-[4-(butanoylamino)-2,5-diethoxyphenyl]cyclopropanecarboxamide has a molecular weight of 334.42 g/mol, XLogP of 3.57, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(butanoylamino)-2,5-diethoxyphenyl]cyclopropanecarboxamide is sourced from PubChem (CID 1428132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).