cis-(1R,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)-N-[[(2S)-4-(2-methylpropyl)morpholin-2-yl]methyl]cyclopropane-1-carboxamide

C19H34N2O2 — CID 39485008

IUPACcis-(1R,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)-N-[[(2S)-4-(2-methylpropyl)morpholin-2-yl]methyl]cyclopropane-1-carboxamide
SMILESCC(C)=C[C@@H]1[C@@H](C(=O)NC[C@H]2CN(CC(C)C)CCO2)C1(C)C
InChIInChI=1S/C19H34N2O2/c1-13(2)9-16-17(19(16,5)6)18(22)20-10-15-12-21(7-8-23-15)11-14(3)4/h9,14-17H,7-8,10-12H2,1-6H3,(H,20,22)/t15-,16+,17-/m0/s1
InChIKeyBUFJIMXFLQPGNB-BBWFWOEESA-N
MW322.49 g/mol
LogP2.70
Rot. Bonds6

About cis-(1R,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)-N-[[(2S)-4-(2-methylpropyl)morpholin-2-yl]methyl]cyclopropane-1-carboxamide

cis-(1R,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)-N-[[(2S)-4-(2-methylpropyl)morpholin-2-yl]methyl]cyclopropane-1-carboxamide (PubChem CID 39485008) has the molecular formula C19H34N2O2 and a molecular weight of 322.49 g/mol. Its IUPAC name is cis-(1R,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)-N-[[(2S)-4-(2-methylpropyl)morpholin-2-yl]methyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Namecis-(1R,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)-N-[[(2S)-4-(2-methylpropyl)morpholin-2-yl]methyl]cyclopropane-1-carboxamide
PubChem CID39485008
Molecular FormulaC19H34N2O2
Molecular Weight322.49 g/mol
Exact Mass322.26
IUPAC Namecis-(1R,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)-N-[[(2S)-4-(2-methylpropyl)morpholin-2-yl]methyl]cyclopropane-1-carboxamide
SMILESCC(C)=C[C@@H]1[C@@H](C(=O)NC[C@H]2CN(CC(C)C)CCO2)C1(C)C
InChIInChI=1S/C19H34N2O2/c1-13(2)9-16-17(19(16,5)6)18(22)20-10-15-12-21(7-8-23-15)11-14(3)4/h9,14-17H,7-8,10-12H2,1-6H3,(H,20,22)/t15-,16+,17-/m0/s1
InChIKeyBUFJIMXFLQPGNB-BBWFWOEESA-N
XLogP2.70
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.49
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of cis-(1R,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)-N-[[(2S)-4-(2-methylpropyl)morpholin-2-yl]methyl]cyclopropane-1-carboxamide?
The IUPAC name of cis-(1R,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)-N-[[(2S)-4-(2-methylpropyl)morpholin-2-yl]methyl]cyclopropane-1-carboxamide (CID 39485008) is cis-(1R,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)-N-[[(2S)-4-(2-methylpropyl)morpholin-2-yl]methyl]cyclopropane-1-carboxamide.
What is the SMILES notation for cis-(1R,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)-N-[[(2S)-4-(2-methylpropyl)morpholin-2-yl]methyl]cyclopropane-1-carboxamide?
The canonical SMILES for cis-(1R,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)-N-[[(2S)-4-(2-methylpropyl)morpholin-2-yl]methyl]cyclopropane-1-carboxamide is CC(C)=C[C@@H]1[C@@H](C(=O)NC[C@H]2CN(CC(C)C)CCO2)C1(C)C.
What is the InChIKey of cis-(1R,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)-N-[[(2S)-4-(2-methylpropyl)morpholin-2-yl]methyl]cyclopropane-1-carboxamide?
The InChIKey is BUFJIMXFLQPGNB-BBWFWOEESA-N. The full InChI is InChI=1S/C19H34N2O2/c1-13(2)9-16-17(19(16,5)6)18(22)20-10-15-12-21(7-8-23-15)11-14(3)4/h9,14-17H,7-8,10-12H2,1-6H3,(H,20,22)/t15-,16+,17-/m0/s1.
What are the key properties of cis-(1R,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)-N-[[(2S)-4-(2-methylpropyl)morpholin-2-yl]methyl]cyclopropane-1-carboxamide?
cis-(1R,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)-N-[[(2S)-4-(2-methylpropyl)morpholin-2-yl]methyl]cyclopropane-1-carboxamide has a molecular weight of 322.49 g/mol, XLogP of 2.70, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)-N-[[(2S)-4-(2-methylpropyl)morpholin-2-yl]methyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 39485008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).