N-[(8-methoxy-2,2-dimethylchromen-7-yl)methyl]-N-[3-[(E)-prop-1-enyl]phenyl]cyclopropanecarboxamide

C26H29NO3 — CID 59205468

IUPACN-[(8-methoxy-2,2-dimethylchromen-7-yl)methyl]-N-[3-[(E)-prop-1-enyl]phenyl]cyclopropanecarboxamide
SMILESC/C=C/c1cccc(N(Cc2ccc3c(c2OC)OC(C)(C)C=C3)C(=O)C2CC2)c1
InChIInChI=1S/C26H29NO3/c1-5-7-18-8-6-9-22(16-18)27(25(28)20-11-12-20)17-21-13-10-19-14-15-26(2,3)30-24(19)23(21)29-4/h5-10,13-16,20H,11-12,17H2,1-4H3/b7-5+
InChIKeyNQVJTWGNQPRVNP-FNORWQNLSA-N
MW403.52 g/mol
LogP5.86
Rot. Bonds6

About N-[(8-methoxy-2,2-dimethylchromen-7-yl)methyl]-N-[3-[(E)-prop-1-enyl]phenyl]cyclopropanecarboxamide

N-[(8-methoxy-2,2-dimethylchromen-7-yl)methyl]-N-[3-[(E)-prop-1-enyl]phenyl]cyclopropanecarboxamide (PubChem CID 59205468) has the molecular formula C26H29NO3 and a molecular weight of 403.52 g/mol. Its IUPAC name is N-[(8-methoxy-2,2-dimethylchromen-7-yl)methyl]-N-[3-[(E)-prop-1-enyl]phenyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[(8-methoxy-2,2-dimethylchromen-7-yl)methyl]-N-[3-[(E)-prop-1-enyl]phenyl]cyclopropanecarboxamide
PubChem CID59205468
Molecular FormulaC26H29NO3
Molecular Weight403.52 g/mol
Exact Mass403.21
IUPAC NameN-[(8-methoxy-2,2-dimethylchromen-7-yl)methyl]-N-[3-[(E)-prop-1-enyl]phenyl]cyclopropanecarboxamide
SMILESC/C=C/c1cccc(N(Cc2ccc3c(c2OC)OC(C)(C)C=C3)C(=O)C2CC2)c1
InChIInChI=1S/C26H29NO3/c1-5-7-18-8-6-9-22(16-18)27(25(28)20-11-12-20)17-21-13-10-19-14-15-26(2,3)30-24(19)23(21)29-4/h5-10,13-16,20H,11-12,17H2,1-4H3/b7-5+
InChIKeyNQVJTWGNQPRVNP-FNORWQNLSA-N
XLogP5.86
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.52
LogP ≤ 55.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(8-methoxy-2,2-dimethylchromen-7-yl)methyl]-N-[3-[(E)-prop-1-enyl]phenyl]cyclopropanecarboxamide?
The IUPAC name of N-[(8-methoxy-2,2-dimethylchromen-7-yl)methyl]-N-[3-[(E)-prop-1-enyl]phenyl]cyclopropanecarboxamide (CID 59205468) is N-[(8-methoxy-2,2-dimethylchromen-7-yl)methyl]-N-[3-[(E)-prop-1-enyl]phenyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[(8-methoxy-2,2-dimethylchromen-7-yl)methyl]-N-[3-[(E)-prop-1-enyl]phenyl]cyclopropanecarboxamide?
The canonical SMILES for N-[(8-methoxy-2,2-dimethylchromen-7-yl)methyl]-N-[3-[(E)-prop-1-enyl]phenyl]cyclopropanecarboxamide is C/C=C/c1cccc(N(Cc2ccc3c(c2OC)OC(C)(C)C=C3)C(=O)C2CC2)c1.
What is the InChIKey of N-[(8-methoxy-2,2-dimethylchromen-7-yl)methyl]-N-[3-[(E)-prop-1-enyl]phenyl]cyclopropanecarboxamide?
The InChIKey is NQVJTWGNQPRVNP-FNORWQNLSA-N. The full InChI is InChI=1S/C26H29NO3/c1-5-7-18-8-6-9-22(16-18)27(25(28)20-11-12-20)17-21-13-10-19-14-15-26(2,3)30-24(19)23(21)29-4/h5-10,13-16,20H,11-12,17H2,1-4H3/b7-5+.
What are the key properties of N-[(8-methoxy-2,2-dimethylchromen-7-yl)methyl]-N-[3-[(E)-prop-1-enyl]phenyl]cyclopropanecarboxamide?
N-[(8-methoxy-2,2-dimethylchromen-7-yl)methyl]-N-[3-[(E)-prop-1-enyl]phenyl]cyclopropanecarboxamide has a molecular weight of 403.52 g/mol, XLogP of 5.86, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(8-methoxy-2,2-dimethylchromen-7-yl)methyl]-N-[3-[(E)-prop-1-enyl]phenyl]cyclopropanecarboxamide is sourced from PubChem (CID 59205468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).