N-(cyclopropylmethyl)-2-methyl-1-[(E)-4-phenylbut-3-enoyl]azetidine-2-carboxamide

C19H24N2O2 — CID 46943591

IUPACN-(cyclopropylmethyl)-2-methyl-1-[(E)-4-phenylbut-3-enoyl]azetidine-2-carboxamide
SMILESCC1(C(=O)NCC2CC2)CCN1C(=O)C/C=C/c1ccccc1
InChIInChI=1S/C19H24N2O2/c1-19(18(23)20-14-16-10-11-16)12-13-21(19)17(22)9-5-8-15-6-3-2-4-7-15/h2-8,16H,9-14H2,1H3,(H,20,23)/b8-5+
InChIKeyBFLOKHQEHFGKFJ-VMPITWQZSA-N
MW312.41 g/mol
LogP2.61
Rot. Bonds6

About N-(cyclopropylmethyl)-2-methyl-1-[(E)-4-phenylbut-3-enoyl]azetidine-2-carboxamide

N-(cyclopropylmethyl)-2-methyl-1-[(E)-4-phenylbut-3-enoyl]azetidine-2-carboxamide (PubChem CID 46943591) has the molecular formula C19H24N2O2 and a molecular weight of 312.41 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-2-methyl-1-[(E)-4-phenylbut-3-enoyl]azetidine-2-carboxamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-2-methyl-1-[(E)-4-phenylbut-3-enoyl]azetidine-2-carboxamide
PubChem CID46943591
Molecular FormulaC19H24N2O2
Molecular Weight312.41 g/mol
Exact Mass312.18
IUPAC NameN-(cyclopropylmethyl)-2-methyl-1-[(E)-4-phenylbut-3-enoyl]azetidine-2-carboxamide
SMILESCC1(C(=O)NCC2CC2)CCN1C(=O)C/C=C/c1ccccc1
InChIInChI=1S/C19H24N2O2/c1-19(18(23)20-14-16-10-11-16)12-13-21(19)17(22)9-5-8-15-6-3-2-4-7-15/h2-8,16H,9-14H2,1H3,(H,20,23)/b8-5+
InChIKeyBFLOKHQEHFGKFJ-VMPITWQZSA-N
XLogP2.61
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.41
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-2-methyl-1-[(E)-4-phenylbut-3-enoyl]azetidine-2-carboxamide?
The IUPAC name of N-(cyclopropylmethyl)-2-methyl-1-[(E)-4-phenylbut-3-enoyl]azetidine-2-carboxamide (CID 46943591) is N-(cyclopropylmethyl)-2-methyl-1-[(E)-4-phenylbut-3-enoyl]azetidine-2-carboxamide.
What is the SMILES notation for N-(cyclopropylmethyl)-2-methyl-1-[(E)-4-phenylbut-3-enoyl]azetidine-2-carboxamide?
The canonical SMILES for N-(cyclopropylmethyl)-2-methyl-1-[(E)-4-phenylbut-3-enoyl]azetidine-2-carboxamide is CC1(C(=O)NCC2CC2)CCN1C(=O)C/C=C/c1ccccc1.
What is the InChIKey of N-(cyclopropylmethyl)-2-methyl-1-[(E)-4-phenylbut-3-enoyl]azetidine-2-carboxamide?
The InChIKey is BFLOKHQEHFGKFJ-VMPITWQZSA-N. The full InChI is InChI=1S/C19H24N2O2/c1-19(18(23)20-14-16-10-11-16)12-13-21(19)17(22)9-5-8-15-6-3-2-4-7-15/h2-8,16H,9-14H2,1H3,(H,20,23)/b8-5+.
What are the key properties of N-(cyclopropylmethyl)-2-methyl-1-[(E)-4-phenylbut-3-enoyl]azetidine-2-carboxamide?
N-(cyclopropylmethyl)-2-methyl-1-[(E)-4-phenylbut-3-enoyl]azetidine-2-carboxamide has a molecular weight of 312.41 g/mol, XLogP of 2.61, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-2-methyl-1-[(E)-4-phenylbut-3-enoyl]azetidine-2-carboxamide is sourced from PubChem (CID 46943591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).