ethyl 2-[[1-phenylethyl(pyridine-4-carbonyl)amino]methyl]cyclopropane-1-carboxylate

C21H24N2O3 — CID 42796798

IUPACethyl 2-[[1-phenylethyl(pyridine-4-carbonyl)amino]methyl]cyclopropane-1-carboxylate
SMILESCCOC(=O)C1CC1CN(C(=O)c1ccncc1)C(C)c1ccccc1
InChIInChI=1S/C21H24N2O3/c1-3-26-21(25)19-13-18(19)14-23(15(2)16-7-5-4-6-8-16)20(24)17-9-11-22-12-10-17/h4-12,15,18-19H,3,13-14H2,1-2H3
InChIKeyOSCVEZCMFDFNAO-UHFFFAOYSA-N
MW352.43 g/mol
LogP3.48
Rot. Bonds7

About ethyl 2-[[1-phenylethyl(pyridine-4-carbonyl)amino]methyl]cyclopropane-1-carboxylate

ethyl 2-[[1-phenylethyl(pyridine-4-carbonyl)amino]methyl]cyclopropane-1-carboxylate (PubChem CID 42796798) has the molecular formula C21H24N2O3 and a molecular weight of 352.43 g/mol. Its IUPAC name is ethyl 2-[[1-phenylethyl(pyridine-4-carbonyl)amino]methyl]cyclopropane-1-carboxylate.

Molecular Properties

Compound Nameethyl 2-[[1-phenylethyl(pyridine-4-carbonyl)amino]methyl]cyclopropane-1-carboxylate
PubChem CID42796798
Molecular FormulaC21H24N2O3
Molecular Weight352.43 g/mol
Exact Mass352.18
IUPAC Nameethyl 2-[[1-phenylethyl(pyridine-4-carbonyl)amino]methyl]cyclopropane-1-carboxylate
SMILESCCOC(=O)C1CC1CN(C(=O)c1ccncc1)C(C)c1ccccc1
InChIInChI=1S/C21H24N2O3/c1-3-26-21(25)19-13-18(19)14-23(15(2)16-7-5-4-6-8-16)20(24)17-9-11-22-12-10-17/h4-12,15,18-19H,3,13-14H2,1-2H3
InChIKeyOSCVEZCMFDFNAO-UHFFFAOYSA-N
XLogP3.48
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.43
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-[[4-phenyl-N-(pyridine-4-carbonyl)anilino]methyl]cyclopropane-1-carboxylate
CID 42796826
ethyl 2-[[propan-2-yl(pyridine-3-carbonyl)amino]methyl]cyclopropane-1-carboxylate
CID 42796795
ethyl 2-[(N-acetylanilino)methyl]cyclopropane-1-carboxylate
CID 42796797
N-(1,3-benzodioxol-5-ylmethyl)-N-(1-phenylethyl)pyridine-4-carboxamide
CID 42776672
ethyl (2R)-2-(phenylmethoxymethyl)cyclopropane-1-carboxylate
CID 166815122
cis-ethyl (1R,2R)-2-(phenylmethoxymethyl)cyclopropane-1-carboxylate
CID 11470338
ethyl 2-benzoylcyclopropane-1-carboxylate
CID 15568394
ethyl 2-[[4-phenyl-N-(quinoline-4-carbonyl)anilino]methyl]cyclopropane-1-carboxylate
CID 42796828
cis-ethyl (1R,2R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclopropane-1-carboxylate
CID 131735737
ethyl 2-[[1H-indole-2-carbonyl(pyridin-3-ylmethyl)amino]methyl]cyclopropane-1-carboxylate
CID 42791890
trans-ethyl (2S,4R)-4-(dibenzylamino)-2-ethylcyclopentane-1-carboxylate
CID 58010141
3-[benzoyl(1-phenylethyl)amino]propanoic acid
CID 82324526

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[1-phenylethyl(pyridine-4-carbonyl)amino]methyl]cyclopropane-1-carboxylate?
The IUPAC name of ethyl 2-[[1-phenylethyl(pyridine-4-carbonyl)amino]methyl]cyclopropane-1-carboxylate (CID 42796798) is ethyl 2-[[1-phenylethyl(pyridine-4-carbonyl)amino]methyl]cyclopropane-1-carboxylate.
What is the SMILES notation for ethyl 2-[[1-phenylethyl(pyridine-4-carbonyl)amino]methyl]cyclopropane-1-carboxylate?
The canonical SMILES for ethyl 2-[[1-phenylethyl(pyridine-4-carbonyl)amino]methyl]cyclopropane-1-carboxylate is CCOC(=O)C1CC1CN(C(=O)c1ccncc1)C(C)c1ccccc1.
What is the InChIKey of ethyl 2-[[1-phenylethyl(pyridine-4-carbonyl)amino]methyl]cyclopropane-1-carboxylate?
The InChIKey is OSCVEZCMFDFNAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O3/c1-3-26-21(25)19-13-18(19)14-23(15(2)16-7-5-4-6-8-16)20(24)17-9-11-22-12-10-17/h4-12,15,18-19H,3,13-14H2,1-2H3.
What are the key properties of ethyl 2-[[1-phenylethyl(pyridine-4-carbonyl)amino]methyl]cyclopropane-1-carboxylate?
ethyl 2-[[1-phenylethyl(pyridine-4-carbonyl)amino]methyl]cyclopropane-1-carboxylate has a molecular weight of 352.43 g/mol, XLogP of 3.48, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[1-phenylethyl(pyridine-4-carbonyl)amino]methyl]cyclopropane-1-carboxylate is sourced from PubChem (CID 42796798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).