N-[4-[[2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetyl]amino]phenyl]cyclopropanecarboxamide

C22H24N2O2 — CID 34431377

IUPACN-[4-[[2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetyl]amino]phenyl]cyclopropanecarboxamide
SMILESO=C(Cc1ccc2c(c1)CCCC2)Nc1ccc(NC(=O)C2CC2)cc1
InChIInChI=1S/C22H24N2O2/c25-21(14-15-5-6-16-3-1-2-4-18(16)13-15)23-19-9-11-20(12-10-19)24-22(26)17-7-8-17/h5-6,9-13,17H,1-4,7-8,14H2,(H,23,25)(H,24,26)
InChIKeyAWSFZGQHTDQTKO-UHFFFAOYSA-N
MW348.45 g/mol
LogP4.10
Rot. Bonds5

About N-[4-[[2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetyl]amino]phenyl]cyclopropanecarboxamide

N-[4-[[2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetyl]amino]phenyl]cyclopropanecarboxamide (PubChem CID 34431377) has the molecular formula C22H24N2O2 and a molecular weight of 348.45 g/mol. Its IUPAC name is N-[4-[[2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetyl]amino]phenyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[4-[[2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetyl]amino]phenyl]cyclopropanecarboxamide
PubChem CID34431377
Molecular FormulaC22H24N2O2
Molecular Weight348.45 g/mol
Exact Mass348.18
IUPAC NameN-[4-[[2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetyl]amino]phenyl]cyclopropanecarboxamide
SMILESO=C(Cc1ccc2c(c1)CCCC2)Nc1ccc(NC(=O)C2CC2)cc1
InChIInChI=1S/C22H24N2O2/c25-21(14-15-5-6-16-3-1-2-4-18(16)13-15)23-19-9-11-20(12-10-19)24-22(26)17-7-8-17/h5-6,9-13,17H,1-4,7-8,14H2,(H,23,25)(H,24,26)
InChIKeyAWSFZGQHTDQTKO-UHFFFAOYSA-N
XLogP4.10
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 54.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-(cyclopropanecarbonylamino)phenyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 41266130
N-[4-(pyrrolidine-1-carbonyl)phenyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide
CID 46535602
N-(3,4-difluorophenyl)-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide
CID 43024786
N-(3,4-dichlorophenyl)-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide
CID 18270009
N-[4-[2-oxo-2-[(2-oxo-1,3-dihydroindol-6-yl)amino]ethyl]phenyl]cyclopropanecarboxamide
CID 166252588
2-(4-chlorophenyl)-N-(2,3-dihydro-1H-inden-5-yl)acetamide
CID 2634509
N-[4-[(2-thiophen-3-ylacetyl)amino]phenyl]cyclopropanecarboxamide
CID 18140749
N-cyclopropyl-2-(2,3-dihydro-1H-inden-5-yl)acetamide
CID 8623360
N-(5,6,7,8-tetrahydronaphthalen-2-yl)propanamide
CID 59873074
N-[4-(phenylsulfamoyl)phenyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide
CID 18274203
N-[2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]cyclopropanecarboxamide
CID 110787330
3-[4-(cyclopropanecarbonylamino)anilino]-3-oxopropanoic acid
CID 62232243

Frequently Asked Questions

What is the IUPAC name of N-[4-[[2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetyl]amino]phenyl]cyclopropanecarboxamide?
The IUPAC name of N-[4-[[2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetyl]amino]phenyl]cyclopropanecarboxamide (CID 34431377) is N-[4-[[2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetyl]amino]phenyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[4-[[2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetyl]amino]phenyl]cyclopropanecarboxamide?
The canonical SMILES for N-[4-[[2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetyl]amino]phenyl]cyclopropanecarboxamide is O=C(Cc1ccc2c(c1)CCCC2)Nc1ccc(NC(=O)C2CC2)cc1.
What is the InChIKey of N-[4-[[2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetyl]amino]phenyl]cyclopropanecarboxamide?
The InChIKey is AWSFZGQHTDQTKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O2/c25-21(14-15-5-6-16-3-1-2-4-18(16)13-15)23-19-9-11-20(12-10-19)24-22(26)17-7-8-17/h5-6,9-13,17H,1-4,7-8,14H2,(H,23,25)(H,24,26).
What are the key properties of N-[4-[[2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetyl]amino]phenyl]cyclopropanecarboxamide?
N-[4-[[2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetyl]amino]phenyl]cyclopropanecarboxamide has a molecular weight of 348.45 g/mol, XLogP of 4.10, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetyl]amino]phenyl]cyclopropanecarboxamide is sourced from PubChem (CID 34431377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).