3-amino-N-(3-anilino-3-oxopropyl)bicyclo[2.2.1]heptane-2-carboxamide

C17H23N3O2 — CID 119785792

IUPAC3-amino-N-(3-anilino-3-oxopropyl)bicyclo[2.2.1]heptane-2-carboxamide
SMILESNC1C2CCC(C2)C1C(=O)NCCC(=O)Nc1ccccc1
InChIInChI=1S/C17H23N3O2/c18-16-12-7-6-11(10-12)15(16)17(22)19-9-8-14(21)20-13-4-2-1-3-5-13/h1-5,11-12,15-16H,6-10,18H2,(H,19,22)(H,20,21)
InChIKeyMROCWIFSPOMPCE-UHFFFAOYSA-N
MW301.39 g/mol
LogP1.50
Rot. Bonds5

About 3-amino-N-(3-anilino-3-oxopropyl)bicyclo[2.2.1]heptane-2-carboxamide

3-amino-N-(3-anilino-3-oxopropyl)bicyclo[2.2.1]heptane-2-carboxamide (PubChem CID 119785792) has the molecular formula C17H23N3O2 and a molecular weight of 301.39 g/mol. Its IUPAC name is 3-amino-N-(3-anilino-3-oxopropyl)bicyclo[2.2.1]heptane-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-(3-anilino-3-oxopropyl)bicyclo[2.2.1]heptane-2-carboxamide
PubChem CID119785792
Molecular FormulaC17H23N3O2
Molecular Weight301.39 g/mol
Exact Mass301.18
IUPAC Name3-amino-N-(3-anilino-3-oxopropyl)bicyclo[2.2.1]heptane-2-carboxamide
SMILESNC1C2CCC(C2)C1C(=O)NCCC(=O)Nc1ccccc1
InChIInChI=1S/C17H23N3O2/c18-16-12-7-6-11(10-12)15(16)17(22)19-9-8-14(21)20-13-4-2-1-3-5-13/h1-5,11-12,15-16H,6-10,18H2,(H,19,22)(H,20,21)
InChIKeyMROCWIFSPOMPCE-UHFFFAOYSA-N
XLogP1.50
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 51.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N-[4-(4-chloroanilino)-4-oxobutyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
CID 119738699
3-amino-N-[3-(5-bromo-2-methylanilino)-3-oxopropyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 119764222
3-amino-N-[4-(phenylcarbamoyl)phenyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 119756435
3-amino-N-[3-(tert-butylamino)-3-oxopropyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
CID 119773936
3-amino-N-[4-(N-methylanilino)butyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 119861966
N-(3-anilino-3-oxopropyl)-2-hydroxycyclopentane-1-carboxamide
CID 110014616
3-amino-N-[3-(2-methoxyethylamino)-3-oxopropyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 115738484
3-amino-N-(2-naphthalen-1-ylethyl)bicyclo[2.2.1]heptane-2-carboxamide
CID 119722507
3-amino-N-[(1-phenylcyclopentyl)methyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
CID 119698155
3-amino-N-[2-(2-ethoxyphenyl)ethyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 119772874
3-amino-N-(3-benzylsulfonylpropyl)bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
CID 119727947
3-amino-N-[4-(ethylcarbamoyl)phenyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
CID 119714116

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(3-anilino-3-oxopropyl)bicyclo[2.2.1]heptane-2-carboxamide?
The IUPAC name of 3-amino-N-(3-anilino-3-oxopropyl)bicyclo[2.2.1]heptane-2-carboxamide (CID 119785792) is 3-amino-N-(3-anilino-3-oxopropyl)bicyclo[2.2.1]heptane-2-carboxamide.
What is the SMILES notation for 3-amino-N-(3-anilino-3-oxopropyl)bicyclo[2.2.1]heptane-2-carboxamide?
The canonical SMILES for 3-amino-N-(3-anilino-3-oxopropyl)bicyclo[2.2.1]heptane-2-carboxamide is NC1C2CCC(C2)C1C(=O)NCCC(=O)Nc1ccccc1.
What is the InChIKey of 3-amino-N-(3-anilino-3-oxopropyl)bicyclo[2.2.1]heptane-2-carboxamide?
The InChIKey is MROCWIFSPOMPCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O2/c18-16-12-7-6-11(10-12)15(16)17(22)19-9-8-14(21)20-13-4-2-1-3-5-13/h1-5,11-12,15-16H,6-10,18H2,(H,19,22)(H,20,21).
What are the key properties of 3-amino-N-(3-anilino-3-oxopropyl)bicyclo[2.2.1]heptane-2-carboxamide?
3-amino-N-(3-anilino-3-oxopropyl)bicyclo[2.2.1]heptane-2-carboxamide has a molecular weight of 301.39 g/mol, XLogP of 1.50, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(3-anilino-3-oxopropyl)bicyclo[2.2.1]heptane-2-carboxamide is sourced from PubChem (CID 119785792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).