N-[2-[[6-(difluoromethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoylamino]ethyl]cyclopropanecarboxamide

C18H23F2N3O3 — CID 51128788

IUPACN-[2-[[6-(difluoromethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoylamino]ethyl]cyclopropanecarboxamide
SMILESO=C(NCCNC(=O)C1CC1)NC1CCCc2cc(OC(F)F)ccc21
InChIInChI=1S/C18H23F2N3O3/c19-17(20)26-13-6-7-14-12(10-13)2-1-3-15(14)23-18(25)22-9-8-21-16(24)11-4-5-11/h6-7,10-11,15,17H,1-5,8-9H2,(H,21,24)(H2,22,23,25)
InChIKeyUCWCYMPSPYXRCR-UHFFFAOYSA-N
MW367.40 g/mol
LogP2.49
Rot. Bonds7

About N-[2-[[6-(difluoromethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoylamino]ethyl]cyclopropanecarboxamide

N-[2-[[6-(difluoromethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoylamino]ethyl]cyclopropanecarboxamide (PubChem CID 51128788) has the molecular formula C18H23F2N3O3 and a molecular weight of 367.40 g/mol. Its IUPAC name is N-[2-[[6-(difluoromethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoylamino]ethyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[2-[[6-(difluoromethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoylamino]ethyl]cyclopropanecarboxamide
PubChem CID51128788
Molecular FormulaC18H23F2N3O3
Molecular Weight367.40 g/mol
Exact Mass367.17
IUPAC NameN-[2-[[6-(difluoromethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoylamino]ethyl]cyclopropanecarboxamide
SMILESO=C(NCCNC(=O)C1CC1)NC1CCCc2cc(OC(F)F)ccc21
InChIInChI=1S/C18H23F2N3O3/c19-17(20)26-13-6-7-14-12(10-13)2-1-3-15(14)23-18(25)22-9-8-21-16(24)11-4-5-11/h6-7,10-11,15,17H,1-5,8-9H2,(H,21,24)(H2,22,23,25)
InChIKeyUCWCYMPSPYXRCR-UHFFFAOYSA-N
XLogP2.49
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.40
LogP ≤ 52.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[[6-(difluoromethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoylamino]-N-propylpropanamide
CID 86870829
N-[6-(difluoromethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]piperidine-4-carboxamide
CID 119310217
3-amino-N-[6-(difluoromethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]cyclopentane-1-carboxamide
CID 119760686
1-[6-(difluoromethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]-3-(4-hydroxy-3-methylbutan-2-yl)urea
CID 111454981
N-[6-(difluoromethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]piperidine-3-carboxamide
CID 119310235
2-[[(1S)-6-(difluoromethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoylamino]-N-(furan-2-ylmethyl)acetamide
CID 94828042
N-[6-(difluoromethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]pentanamide
CID 60605486
N-[6-(difluoromethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]piperidine-2-carboxamide
CID 119310209
1-[(1R)-6-(difluoromethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]-3-(5-methyl-1,2-oxazol-3-yl)urea
CID 95315778
4-(aminomethyl)-N-[6-(difluoromethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide;hydrochloride
CID 119310224
1-(5-chloro-2,3-dihydro-1H-inden-1-yl)-3-[2-[4-(difluoromethoxy)phenyl]ethyl]urea
CID 60580757
1-amino-N-[6-(difluoromethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]cyclohexane-1-carboxamide;hydrochloride
CID 119310236

Frequently Asked Questions

What is the IUPAC name of N-[2-[[6-(difluoromethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoylamino]ethyl]cyclopropanecarboxamide?
The IUPAC name of N-[2-[[6-(difluoromethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoylamino]ethyl]cyclopropanecarboxamide (CID 51128788) is N-[2-[[6-(difluoromethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoylamino]ethyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[2-[[6-(difluoromethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoylamino]ethyl]cyclopropanecarboxamide?
The canonical SMILES for N-[2-[[6-(difluoromethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoylamino]ethyl]cyclopropanecarboxamide is O=C(NCCNC(=O)C1CC1)NC1CCCc2cc(OC(F)F)ccc21.
What is the InChIKey of N-[2-[[6-(difluoromethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoylamino]ethyl]cyclopropanecarboxamide?
The InChIKey is UCWCYMPSPYXRCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23F2N3O3/c19-17(20)26-13-6-7-14-12(10-13)2-1-3-15(14)23-18(25)22-9-8-21-16(24)11-4-5-11/h6-7,10-11,15,17H,1-5,8-9H2,(H,21,24)(H2,22,23,25).
What are the key properties of N-[2-[[6-(difluoromethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoylamino]ethyl]cyclopropanecarboxamide?
N-[2-[[6-(difluoromethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoylamino]ethyl]cyclopropanecarboxamide has a molecular weight of 367.40 g/mol, XLogP of 2.49, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[6-(difluoromethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoylamino]ethyl]cyclopropanecarboxamide is sourced from PubChem (CID 51128788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).