cis-(1S,3S)-2,2-dimethyl-3-(2-methylprop-1-enyl)-N-[2-(morpholin-4-ylmethyl)phenyl]cyclopropane-1-carboxamide

About cis-(1S,3S)-2,2-dimethyl-3-(2-methylprop-1-enyl)-N-[2-(morpholin-4-ylmethyl)phenyl]cyclopropane-1-carboxamide

cis-(1S,3S)-2,2-dimethyl-3-(2-methylprop-1-enyl)-N-[2-(morpholin-4-ylmethyl)phenyl]cyclopropane-1-carboxamide (PubChem CID 94629287) has the molecular formula C21H30N2O2 and a molecular weight of 342.48 g/mol. Its IUPAC name is cis-(1S,3S)-2,2-dimethyl-3-(2-methylprop-1-enyl)-N-[2-(morpholin-4-ylmethyl)phenyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name	cis-(1S,3S)-2,2-dimethyl-3-(2-methylprop-1-enyl)-N-[2-(morpholin-4-ylmethyl)phenyl]cyclopropane-1-carboxamide
PubChem CID	94629287
Molecular Formula	C21H30N2O2
Molecular Weight	342.48 g/mol
Exact Mass	342.23
IUPAC Name	cis-(1S,3S)-2,2-dimethyl-3-(2-methylprop-1-enyl)-N-[2-(morpholin-4-ylmethyl)phenyl]cyclopropane-1-carboxamide
SMILES	CC(C)=C[C@H]1[C@H](C(=O)Nc2ccccc2CN2CCOCC2)C1(C)C
InChI	InChI=1S/C21H30N2O2/c1-15(2)13-17-19(21(17,3)4)20(24)22-18-8-6-5-7-16(18)14-23-9-11-25-12-10-23/h5-8,13,17,19H,9-12,14H2,1-4H3,(H,22,24)/t17-,19+/m0/s1
InChIKey	UFBOUXHVXVKIOS-PKOBYXMFSA-N
XLogP	3.70
TPSA	41.57 Å²
H-Bond Donors	1
H-Bond Acceptors	3
Rotatable Bonds	5
Heavy Atoms	25
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	342.48
LogP ≤ 5	3.70
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Related Compounds

Frequently Asked Questions

What is the IUPAC name of cis-(1S,3S)-2,2-dimethyl-3-(2-methylprop-1-enyl)-N-[2-(morpholin-4-ylmethyl)phenyl]cyclopropane-1-carboxamide?

The IUPAC name of cis-(1S,3S)-2,2-dimethyl-3-(2-methylprop-1-enyl)-N-[2-(morpholin-4-ylmethyl)phenyl]cyclopropane-1-carboxamide (CID 94629287) is cis-(1S,3S)-2,2-dimethyl-3-(2-methylprop-1-enyl)-N-[2-(morpholin-4-ylmethyl)phenyl]cyclopropane-1-carboxamide.

What is the SMILES notation for cis-(1S,3S)-2,2-dimethyl-3-(2-methylprop-1-enyl)-N-[2-(morpholin-4-ylmethyl)phenyl]cyclopropane-1-carboxamide?

The canonical SMILES for cis-(1S,3S)-2,2-dimethyl-3-(2-methylprop-1-enyl)-N-[2-(morpholin-4-ylmethyl)phenyl]cyclopropane-1-carboxamide is CC(C)=C[C@H]1[C@H](C(=O)Nc2ccccc2CN2CCOCC2)C1(C)C.

What is the InChIKey of cis-(1S,3S)-2,2-dimethyl-3-(2-methylprop-1-enyl)-N-[2-(morpholin-4-ylmethyl)phenyl]cyclopropane-1-carboxamide?

The InChIKey is UFBOUXHVXVKIOS-PKOBYXMFSA-N. The full InChI is InChI=1S/C21H30N2O2/c1-15(2)13-17-19(21(17,3)4)20(24)22-18-8-6-5-7-16(18)14-23-9-11-25-12-10-23/h5-8,13,17,19H,9-12,14H2,1-4H3,(H,22,24)/t17-,19+/m0/s1.

What are the key properties of cis-(1S,3S)-2,2-dimethyl-3-(2-methylprop-1-enyl)-N-[2-(morpholin-4-ylmethyl)phenyl]cyclopropane-1-carboxamide?

cis-(1S,3S)-2,2-dimethyl-3-(2-methylprop-1-enyl)-N-[2-(morpholin-4-ylmethyl)phenyl]cyclopropane-1-carboxamide has a molecular weight of 342.48 g/mol, XLogP of 3.70, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for cis-(1S,3S)-2,2-dimethyl-3-(2-methylprop-1-enyl)-N-[2-(morpholin-4-ylmethyl)phenyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 94629287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).