N-[2-[[(1R)-1-(3-ethoxyphenyl)ethyl]carbamoylamino]ethyl]furan-2-carboxamide

C18H23N3O4 — CID 95041246

IUPACN-[2-[[(1R)-1-(3-ethoxyphenyl)ethyl]carbamoylamino]ethyl]furan-2-carboxamide
SMILESCCOc1cccc([C@@H](C)NC(=O)NCCNC(=O)c2ccco2)c1
InChIInChI=1S/C18H23N3O4/c1-3-24-15-7-4-6-14(12-15)13(2)21-18(23)20-10-9-19-17(22)16-8-5-11-25-16/h4-8,11-13H,3,9-10H2,1-2H3,(H,19,22)(H2,20,21,23)/t13-/m1/s1
InChIKeyMYFZTNKCJWMUKC-CYBMUJFWSA-N
MW345.40 g/mol
LogP2.47
Rot. Bonds8

About N-[2-[[(1R)-1-(3-ethoxyphenyl)ethyl]carbamoylamino]ethyl]furan-2-carboxamide

N-[2-[[(1R)-1-(3-ethoxyphenyl)ethyl]carbamoylamino]ethyl]furan-2-carboxamide (PubChem CID 95041246) has the molecular formula C18H23N3O4 and a molecular weight of 345.40 g/mol. Its IUPAC name is N-[2-[[(1R)-1-(3-ethoxyphenyl)ethyl]carbamoylamino]ethyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[2-[[(1R)-1-(3-ethoxyphenyl)ethyl]carbamoylamino]ethyl]furan-2-carboxamide
PubChem CID95041246
Molecular FormulaC18H23N3O4
Molecular Weight345.40 g/mol
Exact Mass345.17
IUPAC NameN-[2-[[(1R)-1-(3-ethoxyphenyl)ethyl]carbamoylamino]ethyl]furan-2-carboxamide
SMILESCCOc1cccc([C@@H](C)NC(=O)NCCNC(=O)c2ccco2)c1
InChIInChI=1S/C18H23N3O4/c1-3-24-15-7-4-6-14(12-15)13(2)21-18(23)20-10-9-19-17(22)16-8-5-11-25-16/h4-8,11-13H,3,9-10H2,1-2H3,(H,19,22)(H2,20,21,23)/t13-/m1/s1
InChIKeyMYFZTNKCJWMUKC-CYBMUJFWSA-N
XLogP2.47
TPSA92.60 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.40
LogP ≤ 52.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[2-[(R)-tert-butylsulfinyl]ethyl]-3-[(1R)-1-(3-ethoxyphenyl)ethyl]urea
CID 95344471
1-[2-(3-ethoxyphenoxy)ethyl]-3-(1-phenylethyl)urea
CID 112972965
1-[1-(3-ethoxyphenyl)ethyl]-3-[2-(2-fluorophenyl)-2-hydroxyethyl]urea
CID 110909256
N-[2-[[2-(4-ethoxyphenyl)acetyl]amino]ethyl]furan-2-carboxamide
CID 108539017
1-[2-(furan-2-yl)-2-hydroxyethyl]-3-[1-(3-propan-2-yloxyphenyl)ethyl]urea
CID 110893573
N-[(1R)-1-(3-ethoxyphenyl)ethyl]-2,2-dimethylpropanamide
CID 94813101
N-[2-[[(1R)-1-(3-methoxyphenyl)ethyl]carbamoylamino]ethyl]-2-methylpropanamide
CID 119064075
2-acetamido-N-[1-(3-ethoxyphenyl)ethyl]acetamide
CID 75418201
N-[2-[(3-methoxyphenyl)methylcarbamoylamino]ethyl]furan-2-carboxamide
CID 36505080
3-[1-(3-ethoxyphenyl)ethyl]-1,1-diethylurea
CID 60600590
(2S)-N-[(1S)-1-(3-ethoxyphenyl)ethyl]-2-(methylamino)propanamide
CID 125458965
N-[3-[[(1S)-1-(3,4-difluorophenyl)ethyl]amino]-3-oxopropyl]furan-2-carboxamide
CID 25479336

Frequently Asked Questions

What is the IUPAC name of N-[2-[[(1R)-1-(3-ethoxyphenyl)ethyl]carbamoylamino]ethyl]furan-2-carboxamide?
The IUPAC name of N-[2-[[(1R)-1-(3-ethoxyphenyl)ethyl]carbamoylamino]ethyl]furan-2-carboxamide (CID 95041246) is N-[2-[[(1R)-1-(3-ethoxyphenyl)ethyl]carbamoylamino]ethyl]furan-2-carboxamide.
What is the SMILES notation for N-[2-[[(1R)-1-(3-ethoxyphenyl)ethyl]carbamoylamino]ethyl]furan-2-carboxamide?
The canonical SMILES for N-[2-[[(1R)-1-(3-ethoxyphenyl)ethyl]carbamoylamino]ethyl]furan-2-carboxamide is CCOc1cccc([C@@H](C)NC(=O)NCCNC(=O)c2ccco2)c1.
What is the InChIKey of N-[2-[[(1R)-1-(3-ethoxyphenyl)ethyl]carbamoylamino]ethyl]furan-2-carboxamide?
The InChIKey is MYFZTNKCJWMUKC-CYBMUJFWSA-N. The full InChI is InChI=1S/C18H23N3O4/c1-3-24-15-7-4-6-14(12-15)13(2)21-18(23)20-10-9-19-17(22)16-8-5-11-25-16/h4-8,11-13H,3,9-10H2,1-2H3,(H,19,22)(H2,20,21,23)/t13-/m1/s1.
What are the key properties of N-[2-[[(1R)-1-(3-ethoxyphenyl)ethyl]carbamoylamino]ethyl]furan-2-carboxamide?
N-[2-[[(1R)-1-(3-ethoxyphenyl)ethyl]carbamoylamino]ethyl]furan-2-carboxamide has a molecular weight of 345.40 g/mol, XLogP of 2.47, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[(1R)-1-(3-ethoxyphenyl)ethyl]carbamoylamino]ethyl]furan-2-carboxamide is sourced from PubChem (CID 95041246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).