1-(2-methoxyphenyl)-N-[(1R,2R)-1-(prop-2-enoylamino)-2,3-dihydro-1H-inden-2-yl]cyclopropane-1-carboxamide

C23H24N2O3 — CID 154870946

IUPAC1-(2-methoxyphenyl)-N-[(1R,2R)-1-(prop-2-enoylamino)-2,3-dihydro-1H-inden-2-yl]cyclopropane-1-carboxamide
SMILESC=CC(=O)N[C@@H]1c2ccccc2C[C@H]1NC(=O)C1(c2ccccc2OC)CC1
InChIInChI=1S/C23H24N2O3/c1-3-20(26)25-21-16-9-5-4-8-15(16)14-18(21)24-22(27)23(12-13-23)17-10-6-7-11-19(17)28-2/h3-11,18,21H,1,12-14H2,2H3,(H,24,27)(H,25,26)/t18-,21-/m1/s1
InChIKeyKZLPCBYUDAJRSP-WIYYLYMNSA-N
MW376.46 g/mol
LogP2.81
Rot. Bonds6

About 1-(2-methoxyphenyl)-N-[(1R,2R)-1-(prop-2-enoylamino)-2,3-dihydro-1H-inden-2-yl]cyclopropane-1-carboxamide

1-(2-methoxyphenyl)-N-[(1R,2R)-1-(prop-2-enoylamino)-2,3-dihydro-1H-inden-2-yl]cyclopropane-1-carboxamide (PubChem CID 154870946) has the molecular formula C23H24N2O3 and a molecular weight of 376.46 g/mol. Its IUPAC name is 1-(2-methoxyphenyl)-N-[(1R,2R)-1-(prop-2-enoylamino)-2,3-dihydro-1H-inden-2-yl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-(2-methoxyphenyl)-N-[(1R,2R)-1-(prop-2-enoylamino)-2,3-dihydro-1H-inden-2-yl]cyclopropane-1-carboxamide
PubChem CID154870946
Molecular FormulaC23H24N2O3
Molecular Weight376.46 g/mol
Exact Mass376.18
IUPAC Name1-(2-methoxyphenyl)-N-[(1R,2R)-1-(prop-2-enoylamino)-2,3-dihydro-1H-inden-2-yl]cyclopropane-1-carboxamide
SMILESC=CC(=O)N[C@@H]1c2ccccc2C[C@H]1NC(=O)C1(c2ccccc2OC)CC1
InChIInChI=1S/C23H24N2O3/c1-3-20(26)25-21-16-9-5-4-8-15(16)14-18(21)24-22(27)23(12-13-23)17-10-6-7-11-19(17)28-2/h3-11,18,21H,1,12-14H2,2H3,(H,24,27)(H,25,26)/t18-,21-/m1/s1
InChIKeyKZLPCBYUDAJRSP-WIYYLYMNSA-N
XLogP2.81
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyphenyl)-N-[(1R,2R)-1-(prop-2-enoylamino)-2,3-dihydro-1H-inden-2-yl]cyclopropane-1-carboxamide?
The IUPAC name of 1-(2-methoxyphenyl)-N-[(1R,2R)-1-(prop-2-enoylamino)-2,3-dihydro-1H-inden-2-yl]cyclopropane-1-carboxamide (CID 154870946) is 1-(2-methoxyphenyl)-N-[(1R,2R)-1-(prop-2-enoylamino)-2,3-dihydro-1H-inden-2-yl]cyclopropane-1-carboxamide.
What is the SMILES notation for 1-(2-methoxyphenyl)-N-[(1R,2R)-1-(prop-2-enoylamino)-2,3-dihydro-1H-inden-2-yl]cyclopropane-1-carboxamide?
The canonical SMILES for 1-(2-methoxyphenyl)-N-[(1R,2R)-1-(prop-2-enoylamino)-2,3-dihydro-1H-inden-2-yl]cyclopropane-1-carboxamide is C=CC(=O)N[C@@H]1c2ccccc2C[C@H]1NC(=O)C1(c2ccccc2OC)CC1.
What is the InChIKey of 1-(2-methoxyphenyl)-N-[(1R,2R)-1-(prop-2-enoylamino)-2,3-dihydro-1H-inden-2-yl]cyclopropane-1-carboxamide?
The InChIKey is KZLPCBYUDAJRSP-WIYYLYMNSA-N. The full InChI is InChI=1S/C23H24N2O3/c1-3-20(26)25-21-16-9-5-4-8-15(16)14-18(21)24-22(27)23(12-13-23)17-10-6-7-11-19(17)28-2/h3-11,18,21H,1,12-14H2,2H3,(H,24,27)(H,25,26)/t18-,21-/m1/s1.
What are the key properties of 1-(2-methoxyphenyl)-N-[(1R,2R)-1-(prop-2-enoylamino)-2,3-dihydro-1H-inden-2-yl]cyclopropane-1-carboxamide?
1-(2-methoxyphenyl)-N-[(1R,2R)-1-(prop-2-enoylamino)-2,3-dihydro-1H-inden-2-yl]cyclopropane-1-carboxamide has a molecular weight of 376.46 g/mol, XLogP of 2.81, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyphenyl)-N-[(1R,2R)-1-(prop-2-enoylamino)-2,3-dihydro-1H-inden-2-yl]cyclopropane-1-carboxamide is sourced from PubChem (CID 154870946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).