N-butan-2-yl-2-[4-(ethylamino)-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-2-yl]acetamide

C17H29N3O — CID 83209842

IUPACN-butan-2-yl-2-[4-(ethylamino)-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-2-yl]acetamide
SMILESCCNC1CCCCc2cn(CC(=O)NC(C)CC)cc21
InChIInChI=1S/C17H29N3O/c1-4-13(3)19-17(21)12-20-10-14-8-6-7-9-16(18-5-2)15(14)11-20/h10-11,13,16,18H,4-9,12H2,1-3H3,(H,19,21)
InChIKeyBKZPUIKPRXPURS-UHFFFAOYSA-N
MW291.44 g/mol
LogP2.78
Rot. Bonds6

About N-butan-2-yl-2-[4-(ethylamino)-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-2-yl]acetamide

N-butan-2-yl-2-[4-(ethylamino)-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-2-yl]acetamide (PubChem CID 83209842) has the molecular formula C17H29N3O and a molecular weight of 291.44 g/mol. Its IUPAC name is N-butan-2-yl-2-[4-(ethylamino)-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-2-yl]acetamide.

Molecular Properties

Compound NameN-butan-2-yl-2-[4-(ethylamino)-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-2-yl]acetamide
PubChem CID83209842
Molecular FormulaC17H29N3O
Molecular Weight291.44 g/mol
Exact Mass291.23
IUPAC NameN-butan-2-yl-2-[4-(ethylamino)-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-2-yl]acetamide
SMILESCCNC1CCCCc2cn(CC(=O)NC(C)CC)cc21
InChIInChI=1S/C17H29N3O/c1-4-13(3)19-17(21)12-20-10-14-8-6-7-9-16(18-5-2)15(14)11-20/h10-11,13,16,18H,4-9,12H2,1-3H3,(H,19,21)
InChIKeyBKZPUIKPRXPURS-UHFFFAOYSA-N
XLogP2.78
TPSA46.06 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-2-[4-(ethylamino)-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-2-yl]acetamide?
The IUPAC name of N-butan-2-yl-2-[4-(ethylamino)-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-2-yl]acetamide (CID 83209842) is N-butan-2-yl-2-[4-(ethylamino)-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-2-yl]acetamide.
What is the SMILES notation for N-butan-2-yl-2-[4-(ethylamino)-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-2-yl]acetamide?
The canonical SMILES for N-butan-2-yl-2-[4-(ethylamino)-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-2-yl]acetamide is CCNC1CCCCc2cn(CC(=O)NC(C)CC)cc21.
What is the InChIKey of N-butan-2-yl-2-[4-(ethylamino)-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-2-yl]acetamide?
The InChIKey is BKZPUIKPRXPURS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3O/c1-4-13(3)19-17(21)12-20-10-14-8-6-7-9-16(18-5-2)15(14)11-20/h10-11,13,16,18H,4-9,12H2,1-3H3,(H,19,21).
What are the key properties of N-butan-2-yl-2-[4-(ethylamino)-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-2-yl]acetamide?
N-butan-2-yl-2-[4-(ethylamino)-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-2-yl]acetamide has a molecular weight of 291.44 g/mol, XLogP of 2.78, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-2-[4-(ethylamino)-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-2-yl]acetamide is sourced from PubChem (CID 83209842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).