N-cyclopropyl-2,5-dimethyl-N-[3-oxo-3-(2-phenylethylamino)propyl]furan-3-carboxamide

C21H26N2O3 — CID 5203446

IUPACN-cyclopropyl-2,5-dimethyl-N-[3-oxo-3-(2-phenylethylamino)propyl]furan-3-carboxamide
SMILESCc1cc(C(=O)N(CCC(=O)NCCc2ccccc2)C2CC2)c(C)o1
InChIInChI=1S/C21H26N2O3/c1-15-14-19(16(2)26-15)21(25)23(18-8-9-18)13-11-20(24)22-12-10-17-6-4-3-5-7-17/h3-7,14,18H,8-13H2,1-2H3,(H,22,24)
InChIKeyULAHAZKQBDENPV-UHFFFAOYSA-N
MW354.45 g/mol
LogP3.25
Rot. Bonds8

About N-cyclopropyl-2,5-dimethyl-N-[3-oxo-3-(2-phenylethylamino)propyl]furan-3-carboxamide

N-cyclopropyl-2,5-dimethyl-N-[3-oxo-3-(2-phenylethylamino)propyl]furan-3-carboxamide (PubChem CID 5203446) has the molecular formula C21H26N2O3 and a molecular weight of 354.45 g/mol. Its IUPAC name is N-cyclopropyl-2,5-dimethyl-N-[3-oxo-3-(2-phenylethylamino)propyl]furan-3-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-2,5-dimethyl-N-[3-oxo-3-(2-phenylethylamino)propyl]furan-3-carboxamide
PubChem CID5203446
Molecular FormulaC21H26N2O3
Molecular Weight354.45 g/mol
Exact Mass354.19
IUPAC NameN-cyclopropyl-2,5-dimethyl-N-[3-oxo-3-(2-phenylethylamino)propyl]furan-3-carboxamide
SMILESCc1cc(C(=O)N(CCC(=O)NCCc2ccccc2)C2CC2)c(C)o1
InChIInChI=1S/C21H26N2O3/c1-15-14-19(16(2)26-15)21(25)23(18-8-9-18)13-11-20(24)22-12-10-17-6-4-3-5-7-17/h3-7,14,18H,8-13H2,1-2H3,(H,22,24)
InChIKeyULAHAZKQBDENPV-UHFFFAOYSA-N
XLogP3.25
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclopropyl-2,5-dimethyl-N-[3-oxo-3-(2-pyridin-2-ylethylamino)propyl]furan-3-carboxamide
CID 3695173
N-(furan-2-ylmethyl)-2,5-dimethyl-N-[3-oxo-3-(2-phenylethylamino)propyl]furan-3-carboxamide
CID 5071057
N-[3-[[(2R)-butan-2-yl]amino]-3-oxopropyl]-N-cyclopropyl-2,5-dimethylfuran-3-carboxamide
CID 7225250
N-benzyl-N-[3-(cyclopropylamino)-3-oxopropyl]-2,5-dimethylfuran-3-carboxamide
CID 815268
2-[cyclopropyl-(2,5-dimethylfuran-3-carbonyl)amino]acetic acid
CID 54945910
N-[3-(benzylamino)-3-oxopropyl]-2,5-dimethyl-N-propylfuran-3-carboxamide
CID 42779701
N-(2-chloroethyl)-N-cyclobutyl-2,5-dimethylfuran-3-carboxamide
CID 102872648
N-benzyl-N-[(3R)-1,1-dioxothiolan-3-yl]-2,5-dimethylfuran-3-carboxamide
CID 8833901
N-ethyl-2,5-dimethyl-N-[3-oxo-3-(2-pyridin-2-ylethylamino)propyl]furan-3-carboxamide
CID 3643874
2,5-dimethyl-N-[3-oxo-3-(4-phenylbutan-2-ylamino)propyl]-N-propylfuran-3-carboxamide
CID 42779721
N-(2-aminoethyl)-2,5-dimethyl-N-(2-phenylethyl)furan-3-carboxamide;hydrochloride
CID 120886169
[2-oxo-2-(3-phenylpropylamino)ethyl] 2,5-dimethylfuran-3-carboxylate
CID 2584947

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2,5-dimethyl-N-[3-oxo-3-(2-phenylethylamino)propyl]furan-3-carboxamide?
The IUPAC name of N-cyclopropyl-2,5-dimethyl-N-[3-oxo-3-(2-phenylethylamino)propyl]furan-3-carboxamide (CID 5203446) is N-cyclopropyl-2,5-dimethyl-N-[3-oxo-3-(2-phenylethylamino)propyl]furan-3-carboxamide.
What is the SMILES notation for N-cyclopropyl-2,5-dimethyl-N-[3-oxo-3-(2-phenylethylamino)propyl]furan-3-carboxamide?
The canonical SMILES for N-cyclopropyl-2,5-dimethyl-N-[3-oxo-3-(2-phenylethylamino)propyl]furan-3-carboxamide is Cc1cc(C(=O)N(CCC(=O)NCCc2ccccc2)C2CC2)c(C)o1.
What is the InChIKey of N-cyclopropyl-2,5-dimethyl-N-[3-oxo-3-(2-phenylethylamino)propyl]furan-3-carboxamide?
The InChIKey is ULAHAZKQBDENPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O3/c1-15-14-19(16(2)26-15)21(25)23(18-8-9-18)13-11-20(24)22-12-10-17-6-4-3-5-7-17/h3-7,14,18H,8-13H2,1-2H3,(H,22,24).
What are the key properties of N-cyclopropyl-2,5-dimethyl-N-[3-oxo-3-(2-phenylethylamino)propyl]furan-3-carboxamide?
N-cyclopropyl-2,5-dimethyl-N-[3-oxo-3-(2-phenylethylamino)propyl]furan-3-carboxamide has a molecular weight of 354.45 g/mol, XLogP of 3.25, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2,5-dimethyl-N-[3-oxo-3-(2-phenylethylamino)propyl]furan-3-carboxamide is sourced from PubChem (CID 5203446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).