cis-(1S,2R)-N-[(1R)-1-(4-methoxyphenyl)-2-methylpropyl]-2-nitrocyclopropane-1-carboxamide

C15H20N2O4 — CID 124825504

IUPACcis-(1S,2R)-N-[(1R)-1-(4-methoxyphenyl)-2-methylpropyl]-2-nitrocyclopropane-1-carboxamide
SMILESCOc1ccc([C@H](NC(=O)[C@H]2C[C@H]2[N+](=O)[O-])C(C)C)cc1
InChIInChI=1S/C15H20N2O4/c1-9(2)14(10-4-6-11(21-3)7-5-10)16-15(18)12-8-13(12)17(19)20/h4-7,9,12-14H,8H2,1-3H3,(H,16,18)/t12-,13+,14+/m0/s1
InChIKeyWZZCIDDVFWYTFY-BFHYXJOUSA-N
MW292.34 g/mol
LogP2.17
Rot. Bonds6

About cis-(1S,2R)-N-[(1R)-1-(4-methoxyphenyl)-2-methylpropyl]-2-nitrocyclopropane-1-carboxamide

cis-(1S,2R)-N-[(1R)-1-(4-methoxyphenyl)-2-methylpropyl]-2-nitrocyclopropane-1-carboxamide (PubChem CID 124825504) has the molecular formula C15H20N2O4 and a molecular weight of 292.34 g/mol. Its IUPAC name is cis-(1S,2R)-N-[(1R)-1-(4-methoxyphenyl)-2-methylpropyl]-2-nitrocyclopropane-1-carboxamide.

Molecular Properties

Compound Namecis-(1S,2R)-N-[(1R)-1-(4-methoxyphenyl)-2-methylpropyl]-2-nitrocyclopropane-1-carboxamide
PubChem CID124825504
Molecular FormulaC15H20N2O4
Molecular Weight292.34 g/mol
Exact Mass292.14
IUPAC Namecis-(1S,2R)-N-[(1R)-1-(4-methoxyphenyl)-2-methylpropyl]-2-nitrocyclopropane-1-carboxamide
SMILESCOc1ccc([C@H](NC(=O)[C@H]2C[C@H]2[N+](=O)[O-])C(C)C)cc1
InChIInChI=1S/C15H20N2O4/c1-9(2)14(10-4-6-11(21-3)7-5-10)16-15(18)12-8-13(12)17(19)20/h4-7,9,12-14H,8H2,1-3H3,(H,16,18)/t12-,13+,14+/m0/s1
InChIKeyWZZCIDDVFWYTFY-BFHYXJOUSA-N
XLogP2.17
TPSA81.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-hydroxy-N-[1-(4-methoxyphenyl)-2-methylpropyl]cyclopentane-1-carboxamide
CID 110013851
2-(cyclopropylmethylamino)-N-[1-(4-methoxyphenyl)-2-methylpropyl]acetamide;hydrochloride
CID 119693481
trans-(1S,2S)-N-[(1S)-1-(4-methoxyphenyl)ethyl]-2-methylcyclopropane-1-carboxamide
CID 27450158
N-[(1S)-1-(4-methoxyphenyl)-2-methylpropyl]furan-2-carboxamide
CID 40938970
N-[1-(4-methoxyphenyl)-2-methylpropyl]piperidine-3-carboxamide
CID 119273380
2-(4-methoxyphenoxy)-N-[(1R)-1-(4-methoxyphenyl)-2-methylpropyl]acetamide
CID 9048684
N-[1-(4-methoxyphenyl)-2-methylpropyl]-2-(methylamino)acetamide;hydrochloride
CID 119693475
4-chloro-N-[1-(4-methoxyphenyl)-2-methylpropyl]-3-nitrobenzamide
CID 55395120
cis-(1S,2R)-2-[bis(4-methoxyphenyl)methylcarbamoyl]cyclopropane-1-carboxylic acid
CID 125154200
(2S,3R)-N-[1-(4-methoxyphenyl)-2-methylpropyl]-7-nitro-18-oxo-11,19-diazapentacyclo[11.7.1.02,11.05,10.014,19]henicosa-5(10),6,8,14,16-pentaene-3-carboxamide
CID 127253768
3-amino-N-[1-(4-methoxyphenyl)-2-methylpropyl]propanamide;hydrochloride
CID 119273367
(4-methoxyphenyl)-(2-nitrocyclohexyl)methanol
CID 586341

Frequently Asked Questions

What is the IUPAC name of cis-(1S,2R)-N-[(1R)-1-(4-methoxyphenyl)-2-methylpropyl]-2-nitrocyclopropane-1-carboxamide?
The IUPAC name of cis-(1S,2R)-N-[(1R)-1-(4-methoxyphenyl)-2-methylpropyl]-2-nitrocyclopropane-1-carboxamide (CID 124825504) is cis-(1S,2R)-N-[(1R)-1-(4-methoxyphenyl)-2-methylpropyl]-2-nitrocyclopropane-1-carboxamide.
What is the SMILES notation for cis-(1S,2R)-N-[(1R)-1-(4-methoxyphenyl)-2-methylpropyl]-2-nitrocyclopropane-1-carboxamide?
The canonical SMILES for cis-(1S,2R)-N-[(1R)-1-(4-methoxyphenyl)-2-methylpropyl]-2-nitrocyclopropane-1-carboxamide is COc1ccc([C@H](NC(=O)[C@H]2C[C@H]2[N+](=O)[O-])C(C)C)cc1.
What is the InChIKey of cis-(1S,2R)-N-[(1R)-1-(4-methoxyphenyl)-2-methylpropyl]-2-nitrocyclopropane-1-carboxamide?
The InChIKey is WZZCIDDVFWYTFY-BFHYXJOUSA-N. The full InChI is InChI=1S/C15H20N2O4/c1-9(2)14(10-4-6-11(21-3)7-5-10)16-15(18)12-8-13(12)17(19)20/h4-7,9,12-14H,8H2,1-3H3,(H,16,18)/t12-,13+,14+/m0/s1.
What are the key properties of cis-(1S,2R)-N-[(1R)-1-(4-methoxyphenyl)-2-methylpropyl]-2-nitrocyclopropane-1-carboxamide?
cis-(1S,2R)-N-[(1R)-1-(4-methoxyphenyl)-2-methylpropyl]-2-nitrocyclopropane-1-carboxamide has a molecular weight of 292.34 g/mol, XLogP of 2.17, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,2R)-N-[(1R)-1-(4-methoxyphenyl)-2-methylpropyl]-2-nitrocyclopropane-1-carboxamide is sourced from PubChem (CID 124825504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).