N-cyclopropyl-3-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]-N-[(4-propan-2-ylphenyl)methyl]propanamide

C23H28N2O3 — CID 55615480

IUPACN-cyclopropyl-3-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]-N-[(4-propan-2-ylphenyl)methyl]propanamide
SMILESCC(C)c1ccc(CN(C(=O)CCNC(=O)/C=C/c2ccco2)C2CC2)cc1
InChIInChI=1S/C23H28N2O3/c1-17(2)19-7-5-18(6-8-19)16-25(20-9-10-20)23(27)13-14-24-22(26)12-11-21-4-3-15-28-21/h3-8,11-12,15,17,20H,9-10,13-14,16H2,1-2H3,(H,24,26)/b12-11+
InChIKeyMSCSOAQZPFBRJE-VAWYXSNFSA-N
MW380.49 g/mol
LogP4.11
Rot. Bonds9

About N-cyclopropyl-3-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]-N-[(4-propan-2-ylphenyl)methyl]propanamide

N-cyclopropyl-3-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]-N-[(4-propan-2-ylphenyl)methyl]propanamide (PubChem CID 55615480) has the molecular formula C23H28N2O3 and a molecular weight of 380.49 g/mol. Its IUPAC name is N-cyclopropyl-3-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]-N-[(4-propan-2-ylphenyl)methyl]propanamide.

Molecular Properties

Compound NameN-cyclopropyl-3-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]-N-[(4-propan-2-ylphenyl)methyl]propanamide
PubChem CID55615480
Molecular FormulaC23H28N2O3
Molecular Weight380.49 g/mol
Exact Mass380.21
IUPAC NameN-cyclopropyl-3-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]-N-[(4-propan-2-ylphenyl)methyl]propanamide
SMILESCC(C)c1ccc(CN(C(=O)CCNC(=O)/C=C/c2ccco2)C2CC2)cc1
InChIInChI=1S/C23H28N2O3/c1-17(2)19-7-5-18(6-8-19)16-25(20-9-10-20)23(27)13-14-24-22(26)12-11-21-4-3-15-28-21/h3-8,11-12,15,17,20H,9-10,13-14,16H2,1-2H3,(H,24,26)/b12-11+
InChIKeyMSCSOAQZPFBRJE-VAWYXSNFSA-N
XLogP4.11
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.49
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N-[3-[cyclopropyl-[(4-propan-2-ylphenyl)methyl]amino]-3-oxopropyl]benzamide
CID 39968084
4-amino-N-cyclopropyl-N-[(4-propan-2-ylphenyl)methyl]pentanamide
CID 120559362
(E)-N-[2-(cycloheptylamino)ethyl]-3-(furan-2-yl)prop-2-enamide
CID 81483200
N-cyclopropyl-2-(methylamino)-N-[(4-propan-2-ylphenyl)methyl]acetamide;hydrochloride
CID 119693001
N-[[2-[(dimethylamino)methyl]phenyl]methyl]-3-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]propanamide
CID 55628715
N-cyclopropyl-3-[(4-methylphenyl)sulfonylamino]-N-[(4-propan-2-ylphenyl)methyl]propanamide
CID 9479145
(E)-3-(furan-2-yl)-N-(3-methoxypropyl)prop-2-enamide
CID 6162293
(E)-3-(furan-2-yl)-N-(2-phenylethyl)prop-2-enamide
CID 790283
N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-3-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]-N-propan-2-ylpropanamide
CID 55666910
N-[5-[cyclopropyl-[(4-propan-2-ylphenyl)methyl]carbamoyl]thiophen-2-yl]furan-2-carboxamide
CID 55510046
(E)-N-[2-(4-fluorophenyl)ethyl]-3-(furan-2-yl)prop-2-enamide
CID 7700192
(E)-3-(furan-2-yl)-N-(3-hydroxypropyl)prop-2-enamide
CID 43389898

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-3-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]-N-[(4-propan-2-ylphenyl)methyl]propanamide?
The IUPAC name of N-cyclopropyl-3-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]-N-[(4-propan-2-ylphenyl)methyl]propanamide (CID 55615480) is N-cyclopropyl-3-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]-N-[(4-propan-2-ylphenyl)methyl]propanamide.
What is the SMILES notation for N-cyclopropyl-3-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]-N-[(4-propan-2-ylphenyl)methyl]propanamide?
The canonical SMILES for N-cyclopropyl-3-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]-N-[(4-propan-2-ylphenyl)methyl]propanamide is CC(C)c1ccc(CN(C(=O)CCNC(=O)/C=C/c2ccco2)C2CC2)cc1.
What is the InChIKey of N-cyclopropyl-3-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]-N-[(4-propan-2-ylphenyl)methyl]propanamide?
The InChIKey is MSCSOAQZPFBRJE-VAWYXSNFSA-N. The full InChI is InChI=1S/C23H28N2O3/c1-17(2)19-7-5-18(6-8-19)16-25(20-9-10-20)23(27)13-14-24-22(26)12-11-21-4-3-15-28-21/h3-8,11-12,15,17,20H,9-10,13-14,16H2,1-2H3,(H,24,26)/b12-11+.
What are the key properties of N-cyclopropyl-3-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]-N-[(4-propan-2-ylphenyl)methyl]propanamide?
N-cyclopropyl-3-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]-N-[(4-propan-2-ylphenyl)methyl]propanamide has a molecular weight of 380.49 g/mol, XLogP of 4.11, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-3-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]-N-[(4-propan-2-ylphenyl)methyl]propanamide is sourced from PubChem (CID 55615480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).