3-amino-N-[4-(N-methylanilino)butyl]bicyclo[2.2.1]heptane-2-carboxamide

C19H29N3O — CID 119861966

IUPAC3-amino-N-[4-(N-methylanilino)butyl]bicyclo[2.2.1]heptane-2-carboxamide
SMILESCN(CCCCNC(=O)C1C2CCC(C2)C1N)c1ccccc1
InChIInChI=1S/C19H29N3O/c1-22(16-7-3-2-4-8-16)12-6-5-11-21-19(23)17-14-9-10-15(13-14)18(17)20/h2-4,7-8,14-15,17-18H,5-6,9-13,20H2,1H3,(H,21,23)
InChIKeyASQPMNIEQQIRCI-UHFFFAOYSA-N
MW315.46 g/mol
LogP2.39
Rot. Bonds7

About 3-amino-N-[4-(N-methylanilino)butyl]bicyclo[2.2.1]heptane-2-carboxamide

3-amino-N-[4-(N-methylanilino)butyl]bicyclo[2.2.1]heptane-2-carboxamide (PubChem CID 119861966) has the molecular formula C19H29N3O and a molecular weight of 315.46 g/mol. Its IUPAC name is 3-amino-N-[4-(N-methylanilino)butyl]bicyclo[2.2.1]heptane-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-[4-(N-methylanilino)butyl]bicyclo[2.2.1]heptane-2-carboxamide
PubChem CID119861966
Molecular FormulaC19H29N3O
Molecular Weight315.46 g/mol
Exact Mass315.23
IUPAC Name3-amino-N-[4-(N-methylanilino)butyl]bicyclo[2.2.1]heptane-2-carboxamide
SMILESCN(CCCCNC(=O)C1C2CCC(C2)C1N)c1ccccc1
InChIInChI=1S/C19H29N3O/c1-22(16-7-3-2-4-8-16)12-6-5-11-21-19(23)17-14-9-10-15(13-14)18(17)20/h2-4,7-8,14-15,17-18H,5-6,9-13,20H2,1H3,(H,21,23)
InChIKeyASQPMNIEQQIRCI-UHFFFAOYSA-N
XLogP2.39
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.46
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-amino-N-[3-[ethylsulfonyl(methyl)amino]propyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 119728915
N-[4-(N-methylanilino)butyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 60566059
3-amino-N-[2-(N-ethyl-3-methylanilino)ethyl]bicyclo[2.2.1]heptane-2-carboxamide;dihydrochloride
CID 119831762
N-[4-(N-methylanilino)butyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 60566180
3-amino-N-(2-naphthalen-1-ylethyl)bicyclo[2.2.1]heptane-2-carboxamide
CID 119722507
N-[3-(N-methylanilino)propyl]pyrrolidine-3-carboxamide
CID 63005380
3-amino-N-[3-(2-methylbenzimidazol-1-yl)propyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 119832486
3-amino-N-[3-(methanesulfonamido)propyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 103809087
3-amino-N-(3-propoxypropyl)bicyclo[2.2.1]heptane-2-carboxamide
CID 82942435
N-[3-(N-methylanilino)propyl]benzamide
CID 18110891
3-amino-N-[(1-phenylcyclopentyl)methyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
CID 119698155
3-amino-N-[3-(1H-benzimidazol-2-yl)propyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 119838264

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[4-(N-methylanilino)butyl]bicyclo[2.2.1]heptane-2-carboxamide?
The IUPAC name of 3-amino-N-[4-(N-methylanilino)butyl]bicyclo[2.2.1]heptane-2-carboxamide (CID 119861966) is 3-amino-N-[4-(N-methylanilino)butyl]bicyclo[2.2.1]heptane-2-carboxamide.
What is the SMILES notation for 3-amino-N-[4-(N-methylanilino)butyl]bicyclo[2.2.1]heptane-2-carboxamide?
The canonical SMILES for 3-amino-N-[4-(N-methylanilino)butyl]bicyclo[2.2.1]heptane-2-carboxamide is CN(CCCCNC(=O)C1C2CCC(C2)C1N)c1ccccc1.
What is the InChIKey of 3-amino-N-[4-(N-methylanilino)butyl]bicyclo[2.2.1]heptane-2-carboxamide?
The InChIKey is ASQPMNIEQQIRCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O/c1-22(16-7-3-2-4-8-16)12-6-5-11-21-19(23)17-14-9-10-15(13-14)18(17)20/h2-4,7-8,14-15,17-18H,5-6,9-13,20H2,1H3,(H,21,23).
What are the key properties of 3-amino-N-[4-(N-methylanilino)butyl]bicyclo[2.2.1]heptane-2-carboxamide?
3-amino-N-[4-(N-methylanilino)butyl]bicyclo[2.2.1]heptane-2-carboxamide has a molecular weight of 315.46 g/mol, XLogP of 2.39, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[4-(N-methylanilino)butyl]bicyclo[2.2.1]heptane-2-carboxamide is sourced from PubChem (CID 119861966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).