(2R)-2-[1-(diethoxymethyl)cyclopropyl]-2-[[(1S)-1-phenylethyl]amino]acetonitrile

C18H26N2O2 — CID 69462298

IUPAC(2R)-2-[1-(diethoxymethyl)cyclopropyl]-2-[[(1S)-1-phenylethyl]amino]acetonitrile
SMILESCCOC(OCC)C1([C@H](C#N)N[C@@H](C)c2ccccc2)CC1
InChIInChI=1S/C18H26N2O2/c1-4-21-17(22-5-2)18(11-12-18)16(13-19)20-14(3)15-9-7-6-8-10-15/h6-10,14,16-17,20H,4-5,11-12H2,1-3H3/t14-,16-/m0/s1
InChIKeyRJMYSCQUOHVZLQ-HOCLYGCPSA-N
MW302.42 g/mol
LogP3.41
Rot. Bonds9

About (2R)-2-[1-(diethoxymethyl)cyclopropyl]-2-[[(1S)-1-phenylethyl]amino]acetonitrile

(2R)-2-[1-(diethoxymethyl)cyclopropyl]-2-[[(1S)-1-phenylethyl]amino]acetonitrile (PubChem CID 69462298) has the molecular formula C18H26N2O2 and a molecular weight of 302.42 g/mol. Its IUPAC name is (2R)-2-[1-(diethoxymethyl)cyclopropyl]-2-[[(1S)-1-phenylethyl]amino]acetonitrile.

Molecular Properties

Compound Name(2R)-2-[1-(diethoxymethyl)cyclopropyl]-2-[[(1S)-1-phenylethyl]amino]acetonitrile
PubChem CID69462298
Molecular FormulaC18H26N2O2
Molecular Weight302.42 g/mol
Exact Mass302.20
IUPAC Name(2R)-2-[1-(diethoxymethyl)cyclopropyl]-2-[[(1S)-1-phenylethyl]amino]acetonitrile
SMILESCCOC(OCC)C1([C@H](C#N)N[C@@H](C)c2ccccc2)CC1
InChIInChI=1S/C18H26N2O2/c1-4-21-17(22-5-2)18(11-12-18)16(13-19)20-14(3)15-9-7-6-8-10-15/h6-10,14,16-17,20H,4-5,11-12H2,1-3H3/t14-,16-/m0/s1
InChIKeyRJMYSCQUOHVZLQ-HOCLYGCPSA-N
XLogP3.41
TPSA54.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

(2R)-2-[1-(diethoxymethyl)cyclopropyl]-2-[[(1S)-2-(4-methylphenyl)-1-phenylethyl]amino]acetonitrile
CID 69461994
1-[1-(diethoxymethyl)cyclopropyl]-N-(1-phenylethyl)ethane-1,2-diamine
CID 22033765
(2R)-2-[1-(diethoxymethyl)cyclopropyl]-2-(2-naphthalen-1-ylethylamino)acetonitrile
CID 69464123
3-(1-methylcyclopropyl)-2-[[(1R)-1-phenylethyl]amino]propanenitrile
CID 163244356
(2S,3S,4S)-3,4-dimethyl-2-[[(1S)-1-phenylethyl]amino]hexanenitrile
CID 167570307
2-(1-phenylethylamino)-3-[1-(trifluoromethyl)cyclopropyl]propanenitrile
CID 170169174
4,4-diethoxy-2-phenylbutanenitrile
CID 13486179
3-phenyl-2-[[(1R)-1-phenylethyl]amino]propanenitrile
CID 11747074
3-phenyl-2-[[(1S)-1-phenylethyl]amino]propanenitrile
CID 11265207
(2S)-3,3-dimethyl-2-[[(1R)-1-phenylethyl]amino]butanenitrile
CID 101095411
1-phenyl-N-[(1S)-1-phenylethyl]propan-1-amine
CID 78956018
2-(3-ethoxy-4-hydroxyphenyl)-2-(1-phenylethylamino)acetonitrile
CID 84817235

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[1-(diethoxymethyl)cyclopropyl]-2-[[(1S)-1-phenylethyl]amino]acetonitrile?
The IUPAC name of (2R)-2-[1-(diethoxymethyl)cyclopropyl]-2-[[(1S)-1-phenylethyl]amino]acetonitrile (CID 69462298) is (2R)-2-[1-(diethoxymethyl)cyclopropyl]-2-[[(1S)-1-phenylethyl]amino]acetonitrile.
What is the SMILES notation for (2R)-2-[1-(diethoxymethyl)cyclopropyl]-2-[[(1S)-1-phenylethyl]amino]acetonitrile?
The canonical SMILES for (2R)-2-[1-(diethoxymethyl)cyclopropyl]-2-[[(1S)-1-phenylethyl]amino]acetonitrile is CCOC(OCC)C1([C@H](C#N)N[C@@H](C)c2ccccc2)CC1.
What is the InChIKey of (2R)-2-[1-(diethoxymethyl)cyclopropyl]-2-[[(1S)-1-phenylethyl]amino]acetonitrile?
The InChIKey is RJMYSCQUOHVZLQ-HOCLYGCPSA-N. The full InChI is InChI=1S/C18H26N2O2/c1-4-21-17(22-5-2)18(11-12-18)16(13-19)20-14(3)15-9-7-6-8-10-15/h6-10,14,16-17,20H,4-5,11-12H2,1-3H3/t14-,16-/m0/s1.
What are the key properties of (2R)-2-[1-(diethoxymethyl)cyclopropyl]-2-[[(1S)-1-phenylethyl]amino]acetonitrile?
(2R)-2-[1-(diethoxymethyl)cyclopropyl]-2-[[(1S)-1-phenylethyl]amino]acetonitrile has a molecular weight of 302.42 g/mol, XLogP of 3.41, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[1-(diethoxymethyl)cyclopropyl]-2-[[(1S)-1-phenylethyl]amino]acetonitrile is sourced from PubChem (CID 69462298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).